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Granularity - Wikipedia
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Coarse-grained materials or systems have fewer, larger discrete components than fine-grained materials or systems. A coarse-grained description of a system regards large subcomponents. A fine-grained description regards smaller components of which the larger ones are composed.
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Coarse-grained materials or systems have fewer, larger discrete components than fine-grained materials or systems. A coarse-grained description of a system regards large subcomponents. A fine-grained description regards smaller components of which the larger ones are composed.
Coarse-Grained Atomistics – Mechanics and Materials Laboratory | ETH Zurich
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While spatial coarse- graining has been addressed by many, effective temporal coarse- graining has remained the “holy- grail” of QC modeling, with most existing techniques requiring a- priori knowledge about where full atomistic and coarse- grained domains are needed, hence not being adaptive and seam ...
While spatial coarse- graining has been addressed by many, effective temporal coarse- graining has remained the “holy- grail” of QC modeling, with most existing techniques requiring a- priori knowledge about where full atomistic and coarse- grained domains are needed, hence not being adaptive and seam ...
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.
Uncertainty driven active learning of coarse grained free ... - Nature
www.nature.com/articles/s41524-023-01183-5 Private View
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due...
Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due...
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.
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.
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...
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 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...
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Coarse‐grained approach to amorphous and anisotropic materials in ...
onlinelibrary.wiley.com/doi/10.1002/ppap.202100179 Private View
RESEARCH ARTICLE. Open Access. Coarse-grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin-film growth simulations: A case study of TiO 2 and ZnO by plasma-enhanced chemical vapor deposition. Jorge Budagosky, Xabier García-Casas, Juan R. Sánchez-Valencia, Ángel Barranco, Ana Borrás. First published: 07 January 2022.
RESEARCH ARTICLE. Open Access. Coarse-grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin-film growth simulations: A case study of TiO 2 and ZnO by plasma-enhanced chemical vapor deposition. Jorge Budagosky, Xabier García-Casas, Juan R. Sánchez-Valencia, Ángel Barranco, Ana Borrás. First published: 07 January 2022.
A state-dependent bounding surface model of coarse-grained materials ...
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A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution - ScienceDirect. Computers and Geotechnics. Volume 169, May 2024, 106187. Research Paper. A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution.
A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution - ScienceDirect. Computers and Geotechnics. Volume 169, May 2024, 106187. Research Paper. A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution.
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.
A receiver-optimized total focusing method for detectability ...
www.sciencedirect.com/science/article/pii/S0963869523001585 Private View
A receiver-optimized total focusing method for detectability enhancement of small defects in coarse grained materials. TaoYea, JieZhangb, YuDua, JianfengXua, LongBaia. Show more. Add to Mendeley. https://doi.org/10.1016/j.ndteint.2023.102943Get rights and content. Abstract.
A receiver-optimized total focusing method for detectability enhancement of small defects in coarse grained materials. TaoYea, JieZhangb, YuDua, JianfengXua, LongBaia. Show more. Add to Mendeley. https://doi.org/10.1016/j.ndteint.2023.102943Get rights and content. Abstract.
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...
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.
Ultrafine-Grained Materials | SpringerLink
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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.
BIOVIA MATERIALS STUDIO MESOCITE - Dassault Systèmes
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BIOVIA Materials Studio Mesocite is a state-of-the-art coarse-grained simulation module for the study of materials at length scales ranging from nanometers to micrometers and time scale from nanoseconds to microseconds. Such materials pervade industrial research in areas such as composites, coatings, cosmetics and controlled release.
BIOVIA Materials Studio Mesocite is a state-of-the-art coarse-grained simulation module for the study of materials at length scales ranging from nanometers to micrometers and time scale from nanoseconds to microseconds. Such materials pervade industrial research in areas such as composites, coatings, cosmetics and controlled release.
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 ].
Bringing Quantum Mechanics to Coarse-Grained Soft Materials Modeling ...
pubs.acs.org/doi/10.1021/acs.chemmater.2c03712 Private View
We motivate the origins of this new computational paradigm, denoted electronic coarse-graining (ECG), discuss its relationship to existing molecular modeling frameworks, and describe recent successes of ECG and related models for soft materials.
We motivate the origins of this new computational paradigm, denoted electronic coarse-graining (ECG), discuss its relationship to existing molecular modeling frameworks, and describe recent successes of ECG and related models for soft materials.