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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.
A state-dependent bounding surface model of coarse-grained materials ...
www.sciencedirect.com/science/article/pii/S0266352X2400123X Private View
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.
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.
A machine learning enabled hybrid optimization framework for ... - Nature
www.nature.com/articles/s41524-022-00914-4 Private View
Coarse-graining allows the combining of groups of atoms into fewer interaction sites, thus, reducing the degrees of freedom in the system. In addition, the accurate representation requires...
Coarse-graining allows the combining of groups of atoms into fewer interaction sites, thus, reducing the degrees of freedom in the system. In addition, the accurate representation requires...
Mesoscopic and multiscale modelling in materials - Nature
www.nature.com/articles/s41563-020-00913-0 Private View
157 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...
157 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...
Evaluation of Essential Dynamics and Fixed-Length Coarse Graining for ...
pubs.acs.org/doi/10.1021/acs.jpcb.3c08198 Private View
For multiscale modeling of biomolecules, reliable coarse-grained (CG) models can offer great potential to simulate larger temporal and spatial scales than traditional all-atom (AA) models. In this study, we explore the essential dynamics coarse graining (EDCG) and fixed-length coarse graining (FLCG) approaches for constructing highly coarse-grained models for multidomain proteins (MDPs), with ...
For multiscale modeling of biomolecules, reliable coarse-grained (CG) models can offer great potential to simulate larger temporal and spatial scales than traditional all-atom (AA) models. In this study, we explore the essential dynamics coarse graining (EDCG) and fixed-length coarse graining (FLCG) approaches for constructing highly coarse-grained models for multidomain proteins (MDPs), with ...
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 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...
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. 846 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. 846 Accesses. 7 Citations. 3 Altmetric. Explore all metrics. Abstract.
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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.
Dynamic behavior of coarse-grained materials with different fines ...
www.sciencedirect.com/science/article/pii/S0165232X19300151 Private View
Three types coarse-grained materials (CGMs) are widely used as base course materials (i.e., Groups A, B, and C) due to their excellent mechanical properties and easy exploitation for high-speed railway in China (China Railway Third Survey and Design Institute Group and China Railway Fourth Survey and Design Institute Group, 2014).
Three types coarse-grained materials (CGMs) are widely used as base course materials (i.e., Groups A, B, and C) due to their excellent mechanical properties and easy exploitation for high-speed railway in China (China Railway Third Survey and Design Institute Group and China Railway Fourth Survey and Design Institute Group, 2014).
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.
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 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.
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.
Fluctuating entropy production on the coarse-grained level: Inference ...
journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.6.023175 Private View
Figure 3. Entropy production as a fluctuating quantity on the coarse-grained level in the steady state. All data are generated using the network shown in Fig. 2.The rates used for simulations and further numerical details are provided in Appendix pp4.Blue lines and markers indicate quantities on the microscopic level, whereas the coarse-grained level is denoted with red lines and markers.
Figure 3. Entropy production as a fluctuating quantity on the coarse-grained level in the steady state. All data are generated using the network shown in Fig. 2.The rates used for simulations and further numerical details are provided in Appendix pp4.Blue lines and markers indicate quantities on the microscopic level, whereas the coarse-grained level is denoted with red lines and markers.
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.
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...
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.