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Formations of force network and softening of amorphous elastic ... - Nature
www.nature.com/articles/s41598-024-59498-2 Private View
Recently, coarse-grained models have successfully demonstrated the fracture of amorphous materials 22,23. In these models, it is assumed that density is heterogeneous, and the shear modulus ...
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Recently, coarse-grained models have successfully demonstrated the fracture of amorphous materials 22,23. In these models, it is assumed that density is heterogeneous, and the shear modulus ...
Enhancing Coarse-Grained Models through Machine Learning
pubs.acs.org/doi/10.1021/acs.jcim.4c00537 Private View
The system size and sampling time issues can be lessened by representing the system in a low-resolution “Coarse-Grained” (CG) model which significantly reduces the number of particles in the system. ... and material properties is of basic concern in modern soft material science and includes std. properties of bulk materials and surface and ...
The system size and sampling time issues can be lessened by representing the system in a low-resolution “Coarse-Grained” (CG) model which significantly reduces the number of particles in the system. ... and material properties is of basic concern in modern soft material science and includes std. properties of bulk materials and surface and ...
Coarse-grained models - Latest research and news | Nature
www.nature.com/subjects/coarse-grained-models Private View
Coarse-grained models are computational models that mimic the behaviour of a complex system by breaking it down into simpler sub-components. ... Revealing process and material parameter effects on ...
Coarse-grained models are computational models that mimic the behaviour of a complex system by breaking it down into simpler sub-components. ... Revealing process and material parameter effects on ...
3D microscopy at the nanoscale reveals unexpected lattice ... - Science
www.science.org/doi/10.1126/science.adj2522 Private View
The characteristics and arrangement of these grains, and of the grain boundaries (GBs) between the grains, are fundamental in determining material properties, including plasticity, i.e., the ability to undergo permanent shape change (1, 2). In coarse-grained metals and alloys, plasticity is most typically sustained by the nucleation and glide ...
The characteristics and arrangement of these grains, and of the grain boundaries (GBs) between the grains, are fundamental in determining material properties, including plasticity, i.e., the ability to undergo permanent shape change (1, 2). In coarse-grained metals and alloys, plasticity is most typically sustained by the nucleation and glide ...
Uncertainty driven active learning of coarse grained free ... - Nature
www.nature.com/articles/s41524-023-01183-5 Private View
Top-down coarse grained force fields are well established with widespread use across different applications 3,4,12,13,14,15,16,17,18,20,21, while the development of bottom-up coarse grained models ...
Top-down coarse grained force fields are well established with widespread use across different applications 3,4,12,13,14,15,16,17,18,20,21, while the development of bottom-up coarse grained models ...
Structural Coarse-Graining via Multiobjective Optimization with ...
pubs.acs.org/doi/10.1021/acs.jctc.3c01348 Private View
In the realm of multiscale molecular simulations, structure-based coarse-graining is a prominent approach for creating efficient coarse-grained (CG) representations of soft matter systems, such as polymers. This involves optimizing CG interactions by matching static correlation functions of the corresponding degrees of freedom in all-atom (AA) models. Here, we present a versatile method ...
In the realm of multiscale molecular simulations, structure-based coarse-graining is a prominent approach for creating efficient coarse-grained (CG) representations of soft matter systems, such as polymers. This involves optimizing CG interactions by matching static correlation functions of the corresponding degrees of freedom in all-atom (AA) models. Here, we present a versatile method ...
Strengthening mechanisms analysis and tailoring of bimodal grain ...
link.springer.com/article/10.1007/s12598-024-02799-2 Private View
In particular, materials with a bimodal grain size distribution demonstrate high strength and high ductility; ultrafine grains contribute to strength and coarse grains ensure ductility [18,19,20,21,22]. HEAs with bimodal grain size distributions have been fabricated using both traditional ingot metallurgy and powder metallurgy processes.
In particular, materials with a bimodal grain size distribution demonstrate high strength and high ductility; ultrafine grains contribute to strength and coarse grains ensure ductility [18,19,20,21,22]. HEAs with bimodal grain size distributions have been fabricated using both traditional ingot metallurgy and powder metallurgy processes.
Gaussian representation of coarse-grained interactions of liquids ...
par.nsf.gov/biblio/10508664-gaussian-representation-coarse-grained... Private View
Low resolution coarse-grained (CG) models provide remarkable com- putational and conceptual advantages for simulating soft materials. In principle, bottom-up CG models can reproduce all structural and thermodynamic properties of atomically detailed models that can be observed at the resolution of the CG model.
Low resolution coarse-grained (CG) models provide remarkable com- putational and conceptual advantages for simulating soft materials. In principle, bottom-up CG models can reproduce all structural and thermodynamic properties of atomically detailed models that can be observed at the resolution of the CG model.
Distilling coarse-grained representations of molecular electronic ...
pubs.aip.org/aip/jcp/article/160/2/024109/2932836 Private View
Bottom-up methods for coarse-grained (CG) molecular modeling are critically needed to establish rigorous links between atomistic reference data and reduced molecular representations. For a target molecule, the ideal reduced CG representation is a function of both the conformational ensemble of the system and the target physical observable(s) to ...
Bottom-up methods for coarse-grained (CG) molecular modeling are critically needed to establish rigorous links between atomistic reference data and reduced molecular representations. For a target molecule, the ideal reduced CG representation is a function of both the conformational ensemble of the system and the target physical observable(s) to ...
Coarse-Grained Crystal Graph Neural Networks for Reticular Materials ...
pubs.acs.org/doi/10.1021/acs.jcim.3c02083 Private View
Coarse-grained crystal graph neural networks showed decent accuracy at low computational costs, making them a valuable alternative to omnipresent atomic-level algorithms. Moreover, the presented models can be successfully integrated into an inverse materials design pipeline as estimators of the objective function.
Coarse-grained crystal graph neural networks showed decent accuracy at low computational costs, making them a valuable alternative to omnipresent atomic-level algorithms. Moreover, the presented models can be successfully integrated into an inverse materials design pipeline as estimators of the objective function.
Следваща >
Coarse‐grained molecular dynamics simulation of polymers: Structures ...
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. ... For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but ...
State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, China. ... For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but ...
Studying the mechanical behavior of a generic thermoplastic by means of ...
journals.sagepub.com/doi/full/10.1177/09673911231208590 Private View
In general, coarse graining is divided into bottom-up and top-down strategies. 21 The former establishes a structural mapping based on atomistic reference simulations and thus transfers the chemical and physical characteristics to the coarse-grained scale. 20 Bottom-up coarse graining typically suffers limited transferability to different ...
In general, coarse graining is divided into bottom-up and top-down strategies. 21 The former establishes a structural mapping based on atomistic reference simulations and thus transfers the chemical and physical characteristics to the coarse-grained scale. 20 Bottom-up coarse graining typically suffers limited transferability to different ...
Diorite : Properties, Formation, Composition and Uses - Geology Science
geologyscience.com/rocks/igneous-rocks/diorite Private View
Diorite: Diorite has a coarse-grained texture with visible mineral grains. Its color range is generally light to dark gray. Granite: Granite can have a coarse to medium-grained texture and is often speckled due to the presence of quartz and feldspar. Its color varies widely, including pink, gray, black, and white. Applications:
Diorite: Diorite has a coarse-grained texture with visible mineral grains. Its color range is generally light to dark gray. Granite: Granite can have a coarse to medium-grained texture and is often speckled due to the presence of quartz and feldspar. Its color varies widely, including pink, gray, black, and white. Applications:
Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design
www.semanticscholar.org/paper/Coarse-Grained-Crystal-Graph-Neural-Networks-for... Private View
A new way of representing materials is proposed, aiming to overcome the limitations of existing methods; the message passing is performed on the coarse-grained crystal graph that comprises molecular building units, which aims to challenge the prevailing atomic-centric perspective on reticular materials design. Reticular materials, including metal-organic frameworks and covalent organic ...
A new way of representing materials is proposed, aiming to overcome the limitations of existing methods; the message passing is performed on the coarse-grained crystal graph that comprises molecular building units, which aims to challenge the prevailing atomic-centric perspective on reticular materials design. Reticular materials, including metal-organic frameworks and covalent organic ...
MATERIALS SCIENCE copyright © 2024 the Ultrastrong and ductile medium ...
www.science.org/doi/reader/10.1126/sciadv.adn7553 Private View
an average grain size of μm (fig. S1). After cold rolling (CR), ~90 nanolamellar subgrains with high-density dislocations were pro - duced in the elongated coarse grains and shear bands (fig. S2). Subsequent recrystallization annealing (RA) at 750°C produced a heterogeneous grain structure, as shown in the backscattered elec-
an average grain size of μm (fig. S1). After cold rolling (CR), ~90 nanolamellar subgrains with high-density dislocations were pro - duced in the elongated coarse grains and shear bands (fig. S2). Subsequent recrystallization annealing (RA) at 750°C produced a heterogeneous grain structure, as shown in the backscattered elec-
Granite | Composition, Properties, Types, & Uses | Britannica
www.britannica.com/science/granite Private View
granite, coarse- or medium-grained intrusive igneous rock that is rich in quartz and feldspar; it is the most common plutonic rock of the Earth’s crust, forming by the cooling of magma (silicate melt) at depth. Learn about the use of gamma-ray spectroscopy to identify the quarry that was the source of granite found in ancient Roman ruins. See ...
granite, coarse- or medium-grained intrusive igneous rock that is rich in quartz and feldspar; it is the most common plutonic rock of the Earth’s crust, forming by the cooling of magma (silicate melt) at depth. Learn about the use of gamma-ray spectroscopy to identify the quarry that was the source of granite found in ancient Roman ruins. See ...
Granite | Properties, Formation, Composition, Uses » Geology Science
geologyscience.com/rocks/granite Private View
This coarse-grained texture gives granite its characteristic appearance and durability, making it a popular choice for use in construction and building materials. Grain size: The grain size of granite can vary depending on the conditions under which it was formed. The size of the mineral grains in granite is generally determined by the rate at ...
This coarse-grained texture gives granite its characteristic appearance and durability, making it a popular choice for use in construction and building materials. Grain size: The grain size of granite can vary depending on the conditions under which it was formed. The size of the mineral grains in granite is generally determined by the rate at ...
Materials | Free Full-Text | Enhanced Coarse-Grained WC-Co (Ce ...
www.mdpi.com/1996-1944/16/16/5506 Private View
The exploration of coarse-grained WC cemented carbide has become a research hotspot for its application in the fields of rock cutting and mining; a key issue is how to achieve uniform dispersion and densification of the sintered phase, as well as how to obtain better mechanical properties. In this paper, chemical co-precipitation, combined with hydrogen reduction, was adopted. CoCl2·6H2O and ...
The exploration of coarse-grained WC cemented carbide has become a research hotspot for its application in the fields of rock cutting and mining; a key issue is how to achieve uniform dispersion and densification of the sintered phase, as well as how to obtain better mechanical properties. In this paper, chemical co-precipitation, combined with hydrogen reduction, was adopted. CoCl2·6H2O and ...
Experimental study on static and dynamic characteristics of ... - Springer
link.springer.com/article/10.1007/s11440-023-01876-7 Private View
2.1 Experimental materials (1) Coarse-grained soils. The original gradation curve of coarse-grained soil in this study was designed according to that of a typical soil–rock mixture in southwestern China, as shown in Fig. 1.To facilitate the sample preparation, coarse-grained soils were considered as the soil matrix and rock blocks.
2.1 Experimental materials (1) Coarse-grained soils. The original gradation curve of coarse-grained soil in this study was designed according to that of a typical soil–rock mixture in southwestern China, as shown in Fig. 1.To facilitate the sample preparation, coarse-grained soils were considered as the soil matrix and rock blocks.
A state-dependent bounding surface model of coarse-grained materials ...
www.semanticscholar.org/paper/A-state-dependent-bounding-surface-model-of... Private View
A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution @article{Chen2024ASB, title={A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution}, author={Jiarui Chen and Chunshun Zhang and Congying Li and Chenhui ...
A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution @article{Chen2024ASB, title={A state-dependent bounding surface model of coarse-grained materials considering effect of initial grain size distribution}, author={Jiarui Chen and Chunshun Zhang and Congying Li and Chenhui ...