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Granularity - Wikipedia
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Granularity. Granularity (also called graininess) is the degree to which a material or system is composed of distinguishable pieces, "granules" or "grains" (metaphorically). It can either refer to the extent to which a larger entity is subdivided, or the extent to which groups of smaller indistinguishable entities have joined together to become ...
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Granularity. Granularity (also called graininess) is the degree to which a material or system is composed of distinguishable pieces, "granules" or "grains" (metaphorically). It can either refer to the extent to which a larger entity is subdivided, or the extent to which groups of smaller indistinguishable entities have joined together to become ...
Ultrasonic signal enhancement for coarse grain materials by machine learning analysis - ScienceDirect
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When a coarse-grained material is detected by ultrasonic testing (UT), flaw echoes will probably be submerged in noise background resulting from grain scattering of ultrasonic, that is, grain noise. Since the amplitude of scattering noise can be comparable to the defect echoes, it makes defect detection for such materials difficult by evaluating ultrasonic time domain amplitude.
When a coarse-grained material is detected by ultrasonic testing (UT), flaw echoes will probably be submerged in noise background resulting from grain scattering of ultrasonic, that is, grain noise. Since the amplitude of scattering noise can be comparable to the defect echoes, it makes defect detection for such materials difficult by evaluating ultrasonic time domain amplitude.
Coarse-graining auto-encoders for molecular dynamics | npj Computational Materials - Nature
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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 ...
Bottom-up Coarse-Graining: Principles and Perspectives | Journal of Chemical Theory and Computation - ACS Publications
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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.
Introduction: Coarse-Graining in Molecular Modeling and Simulation | Journal of Chemical Theory and Computation - ACS Publications
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Developing a Transferable Coarse-Grained Model for the Prediction of Thermodynamic, Structural, and Mechanical Properties of Polyimides at Different Thermodynamic State Points. Journal of Chemical Information and Modeling 2019 , 59 (5) , 2009-2025.
Developing a Transferable Coarse-Grained Model for the Prediction of Thermodynamic, Structural, and Mechanical Properties of Polyimides at Different Thermodynamic State Points. Journal of Chemical Information and Modeling 2019 , 59 (5) , 2009-2025.
Machine Learning of Coarse-Grained Models for Organic Molecules and Polymers: Progress, Opportunities, and Challenges | ACS Omega - ACS Publications
pubs.acs.org/doi/10.1021/acsomega.0c05321 Private View
Machine learning (ML) has emerged as one of the most powerful tools transforming all areas of science and engineering. The nature of molecular dynamics (MD) simulations, complex and time-consuming calculations, makes them particularly suitable for ML research. This review article focuses on recent advancements in developing efficient and accurate coarse-grained (CG) models using various ML ...
Machine learning (ML) has emerged as one of the most powerful tools transforming all areas of science and engineering. The nature of molecular dynamics (MD) simulations, complex and time-consuming calculations, makes them particularly suitable for ML research. This review article focuses on recent advancements in developing efficient and accurate coarse-grained (CG) models using various ML ...
A machine learning enabled hybrid optimization framework for efficient coarse-graining of a model polymer | npj Computational Materials - Nature
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This work presents a framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The framework combines bottom-up and top ...
This work presents a framework governing the development of an efficient, accurate, and transferable coarse-grained (CG) model of a polyether material. The framework combines bottom-up and top ...
Uncertainty driven active learning of coarse grained free energy models | npj Computational Materials - Nature
www.nature.com/articles/s41524-023-01183-5 Private View
would be required, as opposed to starting from scratch. This would allow for more rapid development of coarse grained models in materials screening settings. We emphasize that there is a tradeoff ...
would be required, as opposed to starting from scratch. This would allow for more rapid development of coarse grained models in materials screening settings. We emphasize that there is a tradeoff ...
Coarse-grained Dynamics Simulation in Polymer Systems: from Structures to Material Properties - Springer
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properties of polymer materials. 2.1 Coarse-grained Dynamics Simulation Methods Many interesting thermodynamic or kinetic phenomena in polymer systems, such as self-assembly or phase separation in block copolymer melts, often occur at large space
properties of polymer materials. 2.1 Coarse-grained Dynamics Simulation Methods Many interesting thermodynamic or kinetic phenomena in polymer systems, such as self-assembly or phase separation in block copolymer melts, often occur at large space
Ultrafine-Grained Materials | SpringerLink
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The common grain size of the metals in the industry is >10 μm and are called coarse-grained materials [ 16 ]. Fine-grained metals that are processed using industrial thermomechanical processing have a grain size of ∼1–10 μm. It is hard to achieve a metal with grain size <1 μm (called ultrafine grained) or <100 nm (called nanograined ...
The common grain size of the metals in the industry is >10 μm and are called coarse-grained materials [ 16 ]. Fine-grained metals that are processed using industrial thermomechanical processing have a grain size of ∼1–10 μm. It is hard to achieve a metal with grain size <1 μm (called ultrafine grained) or <100 nm (called nanograined ...
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A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution - ScienceDirect
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The proposed model was used to simulate the stress–strain behavior of two types of coarse-grained soils, i.e., rockfill materials and Cape-May coarse-grained soils. Firstly, the proposed model is verified by drained triaxial compression tests of the rockfill materials with different consolidation pressures and initial GSDs.
The proposed model was used to simulate the stress–strain behavior of two types of coarse-grained soils, i.e., rockfill materials and Cape-May coarse-grained soils. Firstly, the proposed model is verified by drained triaxial compression tests of the rockfill materials with different consolidation pressures and initial GSDs.
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,
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,
Energy renormalization for coarse-graining polymers having different segmental structures | Science Advances - AAAS
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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. We address this problem ...
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. We address this problem ...
Coarse-graining strategies for predicting properties of closely related polymer architectures: A case study of PEEK and PEKK - Journal of ...
link.springer.com/article/10.1557/s43578-021-00332-0 Private View
The ability of atomistic and coarse-grained models to discern between two polymers of very similar architecture is examined. To this end, polyether ether ketone (PEEK) and polyether ketone ketone (PEKK) are chosen. The difference in glass transition temperature and the similarity in compressive responses of the two polymers are captured by all-atom models. A coarse-graining scheme, with 6 ...
The ability of atomistic and coarse-grained models to discern between two polymers of very similar architecture is examined. To this end, polyether ether ketone (PEEK) and polyether ketone ketone (PEKK) are chosen. The difference in glass transition temperature and the similarity in compressive responses of the two polymers are captured by all-atom models. A coarse-graining scheme, with 6 ...
Coarse‐grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin‐film growth simulations: A case study of TiO2 and ...
onlinelibrary.wiley.com/doi/10.1002/ppap.202100179 Private View
It is in this no-man's-land where a coarse-grained (CG) treatment of the KMC method is often useful. [ 13 - 24 ] From a technological point of view, TiO 2 is part of a set of materials of intensive use in the manufacture of optoelectronic nano-devices, antireflective coatings, and antibacterial, biocompatible, antifogging, and self-cleanable surfaces.
It is in this no-man's-land where a coarse-grained (CG) treatment of the KMC method is often useful. [ 13 - 24 ] From a technological point of view, TiO 2 is part of a set of materials of intensive use in the manufacture of optoelectronic nano-devices, antireflective coatings, and antibacterial, biocompatible, antifogging, and self-cleanable surfaces.
PolySMart: a general coarse-grained molecular dynamics polymerization scheme - Materials Horizons (RSC Publishing)
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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. Several methods have been reported to construct initial structures for homo- and co-polymers; however, mo
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. Several methods have been reported to construct initial structures for homo- and co-polymers; however, mo
Mesoscopic and multiscale modelling in materials - Nature
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Upscaling methods, which link discrete scales (electronic structure, atomistic, coarse-grained ... In step 3, the coarse-scale solution is computed using a coarse mesh with homogenized material ...
Upscaling methods, which link discrete scales (electronic structure, atomistic, coarse-grained ... In step 3, the coarse-scale solution is computed using a coarse mesh with homogenized material ...
Coarse Grained Model - an overview | ScienceDirect Topics
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Coarse-grained models. 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 ...
Coarse-grained models. 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 ...
Approaches and Perspective of Coarse-Grained Modeling and Simulation for Polymer–Nanoparticle Hybrid Systems | ACS Omega - ACS Publications
pubs.acs.org/doi/10.1021/acsomega.2c06248 Private View
Molecular modeling and simulations have emerged as effective and indispensable tools to characterize polymeric systems. They provide fundamental and essential insights to design a product of the required properties and to improve the understanding of a phenomenon at the molecular level for a particular system. The polymer–nanoparticle hybrids are materials with outstanding properties and ...
Molecular modeling and simulations have emerged as effective and indispensable tools to characterize polymeric systems. They provide fundamental and essential insights to design a product of the required properties and to improve the understanding of a phenomenon at the molecular level for a particular system. The polymer–nanoparticle hybrids are materials with outstanding properties and ...
COARSE-GRAINED在劍橋英語詞典中的解釋及翻譯 - Cambridge Dictionary
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COARSE-GRAINED的意思、解釋及翻譯：1. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger…。了解更多。 把coarse-grained添加到下面的一個詞彙表中，或者創建一個新詞彙表。
COARSE-GRAINED的意思、解釋及翻譯：1. Coarse-grained rock, soil, paper, material, etc. is rough, or has pieces in it that are larger…。了解更多。 把coarse-grained添加到下面的一個詞彙表中，或者創建一個新詞彙表。