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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 ...
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 ...
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 ...
Coarse-grained Dynamics Simulation in Polymer Systems: from Structures to Material Properties | Chemical Research in Chinese Universities - Springer
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Based on recent studies in our group, the main progress of coarse-grained simulation methods in studying the structure, properties and physical mechanism of polymer materials is reviewed. It is anticipated to provide a reference for further development of coarse-grained simulation methods and software suitable for polymer research.
Based on recent studies in our group, the main progress of coarse-grained simulation methods in studying the structure, properties and physical mechanism of polymer materials is reviewed. It is anticipated to provide a reference for further development of coarse-grained simulation methods and software suitable for polymer research.
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 ...
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 ...
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.
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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 ...
Coarse‐grained molecular dynamics simulation of polymers: Structures and dynamics - Shi - 2023 - WIREs Computational Molecular Science - Wiley ...
wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1683?af=R Private View
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, China Correspondence Hu-Jun Qian and Zhong-Yuan Lu, State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, 130023, China.
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, China Correspondence Hu-Jun Qian and Zhong-Yuan Lu, State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, 130023, China.
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.
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 ...
Mechanical Modeling of Frozen Coarse-Grained Materials Incorporating Microscale Investigation - Hindawi
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To investigate the effects of temperature and confining pressure on the mechanical features of frozen coarse-grained materials, 12 triaxial tests were conducted. The temperatures ranged from −2°C to −15°C, while the confining pressures varied from 0.2 MPa to 1.0 MPa. And the detailed schemes are listed in Table 2.
To investigate the effects of temperature and confining pressure on the mechanical features of frozen coarse-grained materials, 12 triaxial tests were conducted. The temperatures ranged from −2°C to −15°C, while the confining pressures varied from 0.2 MPa to 1.0 MPa. And the detailed schemes are listed in Table 2.
PolySMart: a general coarse-grained molecular dynamics polymerization scheme - Materials Horizons (RSC Publishing)
pubs.rsc.org/en/content/articlelanding/2023/mh/d3mh00088e Private View
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
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.
Constitutive Modeling of Coarse-Grained Materials Incorporating the Effect of Particle Breakage on Critical State Behavior in a Framework of ...
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. Liu, M., Gao ...
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. Liu, M., Gao ...
A receiver-optimized total focusing method for detectability enhancement of small defects in coarse grained materials - ScienceDirect
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As long as this criterion is satisfied for a coarse grained material which has homogeneous microstructure, it is expected that the effect of ROI size on the optimization process is relatively small. Table 1 lists the hyperparameters of ROTFM adopted in this section for simulation data.
As long as this criterion is satisfied for a coarse grained material which has homogeneous microstructure, it is expected that the effect of ROI size on the optimization process is relatively small. Table 1 lists the hyperparameters of ROTFM adopted in this section for simulation data.
Differences Between Coarse-Grained and Fine-Grained Soil
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Coarse-grained soils have 50% or less material passing the No. 200 sieve. Fine-grained soils have 50% or more material passing the No. 200 sieve. Engineering properties such as strength and compressibility of coarse-grained soil are governed by the grain-size of the particles and their structural arrangement.
Coarse-grained soils have 50% or less material passing the No. 200 sieve. Fine-grained soils have 50% or more material passing the No. 200 sieve. Engineering properties such as strength and compressibility of coarse-grained soil are governed by the grain-size of the particles and their structural arrangement.