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Granularity - Wikipedia
en.wikipedia.org/wiki/Granularity Private View
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.
Mesoscopic and multiscale modelling in materials - Nature
www.nature.com/articles/s41563-020-00913-0 Private View
While providing a link between fine and coarse scales using tools of statistical mechanics may be trivial for homogeneous materials and simple properties, the undertaking becomes challenging...
While providing a link between fine and coarse scales using tools of statistical mechanics may be trivial for homogeneous materials and simple properties, the undertaking becomes challenging...
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...
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.
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.
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 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 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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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 †.
Coarse-grained simulations of ionic liquid materials: from monomeric ...
pubs.rsc.org/en/content/articlelanding/2021/cp/d1cp02662c Private View
Coarse-grained simulations of ionic liquid materials: from monomeric ionic liquids to ionic liquid crystals and polymeric ionic liquids - Physical Chemistry Chemical Physics (RSC Publishing) Issue 35, 2021. Previous Article. Next Article. From the journal: Physical Chemistry Chemical Physics.
Coarse-grained simulations of ionic liquid materials: from monomeric ionic liquids to ionic liquid crystals and polymeric ionic liquids - Physical Chemistry Chemical Physics (RSC Publishing) Issue 35, 2021. Previous Article. Next Article. From the journal: Physical Chemistry Chemical Physics.
Coarse-graining auto-encoders for molecular dynamics | npj ...
www.nature.com/articles/s41524-019-0261-5 Private View
Coarse-grained (CG) molecular modeling has been used extensively to simulate complex molecular processes with lower computational cost than all-atom simulations. 1, 2 By compressing the full...
Coarse-grained (CG) molecular modeling has been used extensively to simulate complex molecular processes with lower computational cost than all-atom simulations. 1, 2 By compressing the full...
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].
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 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.
Ultrafine-Grained Materials | SpringerLink
link.springer.com/chapter/10.1007/978-3-030-80359-9_17 Private View
17.1 What Is Ultrafine-Grained Materials. Ultrafine-grained (UFG) metallic materials are at the cutting edge of modern materials science as they exhibit outstanding properties which make them very interesting for prospective structural or functional engineering applications.
17.1 What Is Ultrafine-Grained Materials. Ultrafine-grained (UFG) metallic materials are at the cutting edge of modern materials science as they exhibit outstanding properties which make them very interesting for prospective structural or functional engineering applications.
Experimental investigation of the particle breakage of coarse-grained ...
www.sciencedirect.com/science/article/pii/S2214391223000272 Private View
Particle breakage is commonly observed in coarse-grained materials (CGMs) when subjected to external loads. In this study, the evolution of the particle size distribution of CGMs was systematically investigated by conducting a series of impact loading tests with respect to different influencing factors: initial grading, water content, and compaction coefficient.
Particle breakage is commonly observed in coarse-grained materials (CGMs) when subjected to external loads. In this study, the evolution of the particle size distribution of CGMs was systematically investigated by conducting a series of impact loading tests with respect to different influencing factors: initial grading, water content, and compaction coefficient.
Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling ...
pubs.acs.org/doi/10.1021/acs.chemmater.2c03712 Private View
Materials. Molecular modeling. Polymers. Get e-Alerts. Abstract. Fundamental knowledge gaps are endemic in our understanding of how emergent properties of soft materials are linked to the quantum mechanical (QM) world.
Materials. Molecular modeling. Polymers. Get e-Alerts. Abstract. Fundamental knowledge gaps are endemic in our understanding of how emergent properties of soft materials are linked to the quantum mechanical (QM) world.
Detection and Separation of Close Flaws in Coarse-Grained Materials ...
link.springer.com/article/10.1007/s10921-022-00900-2 Private View
Detection and Separation of Close Flaws in Coarse-Grained Materials Using Ultrasonic Image Deconvolution. Published: 28 September 2022. Volume 41, article number 66, ( 2022 ) Cite this article. Download PDF. Nans Laroche, Ewen Carcreff, Sébastien Bourguignon, Jérôme Idier, Aroune Duclos & Pierre-Emile Lhuillier. 356 Accesses. 1 Citation.
Detection and Separation of Close Flaws in Coarse-Grained Materials Using Ultrasonic Image Deconvolution. Published: 28 September 2022. Volume 41, article number 66, ( 2022 ) Cite this article. Download PDF. Nans Laroche, Ewen Carcreff, Sébastien Bourguignon, Jérôme Idier, Aroune Duclos & Pierre-Emile Lhuillier. 356 Accesses. 1 Citation.