-
italiano
- Ultimo anno
- SafeSearch: Attivata
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...
PrivateView ti consente di visualizzare in anteprima un sito Web senza visitarlo direttamente. Le tue informazioni non vengono mai condivise con il sito quando usi PrivateView.
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...
Formations of force network and softening of amorphous elastic ... - Nature
www.nature.com/articles/s41598-024-59498-2 Private View
Formations of force network and softening of amorphous elastic materials from a coarsen-grained particle model. Rei Kurita, Yuto Tamura & Marie Tani. Scientific Reports 14, Article number:...
Formations of force network and softening of amorphous elastic materials from a coarsen-grained particle model. Rei Kurita, Yuto Tamura & Marie Tani. Scientific Reports 14, Article number:...
Coarse‐grained molecular dynamics simulation of polymers: Structures ...
wires.onlinelibrary.wiley.com/doi/10.1002/wcms.1683?af=R Private View
For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but also these CG models can provide sufficient structural and dynamical properties at both micro- and meso-scopic levels.
For the simulations of polymeric systems, coarse-grained (CG) molecular dynamics simulations are computationally demanding not only because of their high computational efficiency, but also these CG models can provide sufficient structural and dynamical properties at both micro- and meso-scopic levels.
Ultrafine-Grained Materials | SpringerLink
link.springer.com/chapter/10.1007/978-3-031-31729-3_1 Private View
Ultrafine-grained materials. SPD processing techniques. Nanostructural design. Advanced properties. Introduction. Although the mechanical and physical properties of any crystalline materials are determined by several factors, the average grain size of the material generally plays a very significant, and often a dominant, role.
Ultrafine-grained materials. SPD processing techniques. Nanostructural design. Advanced properties. Introduction. Although the mechanical and physical properties of any crystalline materials are determined by several factors, the average grain size of the material generally plays a very significant, and often a dominant, role.
Enhancing Coarse-Grained Models through Machine Learning
pubs.acs.org/doi/10.1021/acs.jcim.4c00537 Private View
Computer simulations, Machine learning, Molecular dynamics, Computer simulations, particularly molecular dynamics (MD) simulations, are effective tools for studying microscopic and dynamic details of complex systems governing various physicochemical and biological processes.
Computer simulations, Machine learning, Molecular dynamics, Computer simulations, particularly molecular dynamics (MD) simulations, are effective tools for studying microscopic and dynamic details of complex systems governing various physicochemical and biological processes.
Multiscale mechanics and molecular dynamics simulations of the ... - Nature
www.nature.com/articles/s43246-023-00391-2 Private View
Leelaprachakul, T., Kubo, A. & Umeno, Y. Coarse-grained molecular dynamics simulation of polycarbonate deformation: dependence of mechanical performance by the effect of spatial distribution and ...
Leelaprachakul, T., Kubo, A. & Umeno, Y. Coarse-grained molecular dynamics simulation of polycarbonate deformation: dependence of mechanical performance by the effect of spatial distribution and ...
Coarse-Grained Crystal Graph Neural Networks for Reticular Materials ...
pubs.acs.org/doi/10.1021/acs.jcim.3c02083 Private View
Neural networks. Abstract. Reticular materials, including metal–organic frameworks and covalent organic frameworks, combine the relative ease of synthesis and an impressive range of applications in various fields from gas storage to biomedicine.
Neural networks. Abstract. Reticular materials, including metal–organic frameworks and covalent organic frameworks, combine the relative ease of synthesis and an impressive range of applications in various fields from gas storage to biomedicine.
Coarse-Graining and Forecasting Atomic Material Simulations with ...
journals.aps.org/prl/abstract/10.1103/PhysRevLett.131.236101 Private View
Coarse graining Molecular dynamics. Condensed Matter, Materials & Applied PhysicsStatistical Physics & Thermodynamics. Authors & Affiliations. Thomas D. Swinburne * Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France. * thomas.swinburne@cnrs.fr. Click to Expand. Article Text (Subscription Required)
Coarse graining Molecular dynamics. Condensed Matter, Materials & Applied PhysicsStatistical Physics & Thermodynamics. Authors & Affiliations. Thomas D. Swinburne * Aix-Marseille Université, CNRS, CINaM UMR 7325, Campus de Luminy, 13288 Marseille, France. * thomas.swinburne@cnrs.fr. Click to Expand. Article Text (Subscription Required)
Structural Coarse-Graining via Multiobjective Optimization with ...
pubs.acs.org/doi/10.1021/acs.jctc.3c01348 Private View
Thermodynamics. Abstract. 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.
Thermodynamics. Abstract. 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.
Conglomerate | Properties, Composition, Classification, Formation
geologyscience.com/rocks/sedimentary-rocks/conglomerate Private View
Texture: Clastic (coarse-grained). Grain size: > 2mm; Clasts easily visible to the naked eye, should be identifiable. Hardness: Soft to hard, dependent on clast composition and strength of cement. Colour: variable, dependent on clast and matrix composition. Clasts: variable, but generally harder rock types and / or minerals dominate.
Texture: Clastic (coarse-grained). Grain size: > 2mm; Clasts easily visible to the naked eye, should be identifiable. Hardness: Soft to hard, dependent on clast composition and strength of cement. Colour: variable, dependent on clast and matrix composition. Clasts: variable, but generally harder rock types and / or minerals dominate.
Avanti >
Effect of Grain Size on the Heat-Affected Zone (HAZ) Cracking ...
link.springer.com/article/10.1007/s11661-023-07241-3 Private View
During HAZ simulation, the coarse-grained material could withstand multiple passes (4 cycles) up to a temperature of 1050 °C without formation of any defects, whereas the fine-grained material withstood up to 1150 °C without the formation of defects, even after 4 passes.
During HAZ simulation, the coarse-grained material could withstand multiple passes (4 cycles) up to a temperature of 1050 °C without formation of any defects, whereas the fine-grained material withstood up to 1150 °C without the formation of defects, even after 4 passes.
Experimental study on static and dynamic characteristics of ... - Springer
link.springer.com/article/10.1007/s11440-023-01876-7 Private View
Cementitious coarse-grained soils are widely used as filling materials in infrastructure projects such as high-speed railway subgrades, earth dams, and highway bases, due to their excellent strength, stiffness, and stability performances.
Cementitious coarse-grained soils are widely used as filling materials in infrastructure projects such as high-speed railway subgrades, earth dams, and highway bases, due to their excellent strength, stiffness, and stability performances.
Coarse grained simulation and dynamic bridging for turbulent mixing ...
www.sciencedirect.com/science/article/abs/pii/S0045793024000173 Private View
Coarse grained simulation and dynamic bridging for turbulent mixing predictions - ScienceDirect. Computers & Fluids. Volume 271, 15 March 2024, 106185. Coarse grained simulation and dynamic bridging for turbulent mixing predictions. Fernando F.Grinstein. Show more. Add to Mendeley. Cite.
Coarse grained simulation and dynamic bridging for turbulent mixing predictions - ScienceDirect. Computers & Fluids. Volume 271, 15 March 2024, 106185. Coarse grained simulation and dynamic bridging for turbulent mixing predictions. Fernando F.Grinstein. Show more. Add to Mendeley. Cite.
Effect of microstructure and local stress on small crack initiation and ...
onlinelibrary.wiley.com/doi/full/10.1111/ffe.14201 Private View
Effect of microstructure and local stress on small crack initiation and propagation paths in coarse-grained FeCrAl alloys. Min Zhan, Chang Liu, Yajun Dai, Xiangyu Wang, Yao Chen, Yongjie Liu, Chong Wang, Lang Li, Qingyuan Wang, Chao He. First published: 19 December 2023. https://doi.org/10.1111/ffe.14201. Read the full text. PDF. Tools. Share.
Effect of microstructure and local stress on small crack initiation and propagation paths in coarse-grained FeCrAl alloys. Min Zhan, Chang Liu, Yajun Dai, Xiangyu Wang, Yao Chen, Yongjie Liu, Chong Wang, Lang Li, Qingyuan Wang, Chao He. First published: 19 December 2023. https://doi.org/10.1111/ffe.14201. Read the full text. PDF. Tools. Share.
Coarse-grained models - Latest research and news | Nature
www.nature.com/subjects/coarse-grained-models Private View
Coarse-grained models - Latest research and news | Nature. Coarse-grained models articles from across Nature Portfolio. Coarse-grained models are computational models that mimic the...
Coarse-grained models - Latest research and news | Nature. Coarse-grained models articles from across Nature Portfolio. Coarse-grained models are computational models that mimic the...
Coarse-grained force field for ZIF-8: A study on adsorption, diffusion ...
pubs.aip.org/aip/jcp/article/160/20/204706/3294574/Coarse-grained-force-field... Private View
The coarse-graining (CG) of MOFs is a potential solution for pressing challenges in the dynamic of computational materials science. 37 Investigation of MOFs with CG force fields was initiated a decade ago. 38 Pioneering efforts ventured into exploring HKUST-1 through the lens of CG, unveiling profound insights into structural defects, stability,...
The coarse-graining (CG) of MOFs is a potential solution for pressing challenges in the dynamic of computational materials science. 37 Investigation of MOFs with CG force fields was initiated a decade ago. 38 Pioneering efforts ventured into exploring HKUST-1 through the lens of CG, unveiling profound insights into structural defects, stability,...
Granite | Properties, Formation, Composition, Uses » Geology Science
geologyscience.com/rocks/granite Private View
Classification. Physical and Chemical Properties of Granite. Mineral composition and variations. Texture and grain size. Color variations and causes. Formation and Occurrence of Granite. Geological conditions necessary for granite formation. Worldwide distribution of granite deposits. Applications and Uses of Granite. Production of Granite.
Classification. Physical and Chemical Properties of Granite. Mineral composition and variations. Texture and grain size. Color variations and causes. Formation and Occurrence of Granite. Geological conditions necessary for granite formation. Worldwide distribution of granite deposits. Applications and Uses of Granite. Production of Granite.
Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design
www.semanticscholar.org/paper/Coarse-Grained-Crystal-Graph-Neural-Networks-for... Private View
[PDF] Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design | Semantic Scholar. DOI: 10.1021/acs.jcim.3c02083. Corpus ID: 264814456. Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design. V. Korolev, Artem Mitrofanov. Published in Journal of Chemical… 30 October 2023. Materials Science, Chemistry. TLDR.
[PDF] Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design | Semantic Scholar. DOI: 10.1021/acs.jcim.3c02083. Corpus ID: 264814456. Coarse-Grained Crystal Graph Neural Networks for Reticular Materials Design. V. Korolev, Artem Mitrofanov. Published in Journal of Chemical… 30 October 2023. Materials Science, Chemistry. TLDR.
Two-Dimensional Metal–Organic Framework Self-Assembly and Defect ...
pubs.acs.org/doi/10.1021/acs.chemmater.3c02049 Private View
Metal–organic frameworks (MOFs) are crystalline materials that self-assemble from inorganic nodes and organic linkers, and isoreticular chemistry allows for modular and synthetic reagents of various sizes. In this study, a MOF’s components─metal nodes and organic linkers─are constructed in a coarse-grained model from isotropic beads, retaining the basic symmetries of the molecular ...
Metal–organic frameworks (MOFs) are crystalline materials that self-assemble from inorganic nodes and organic linkers, and isoreticular chemistry allows for modular and synthetic reagents of various sizes. In this study, a MOF’s components─metal nodes and organic linkers─are constructed in a coarse-grained model from isotropic beads, retaining the basic symmetries of the molecular ...
Force Matching and Iterative Boltzmann Inversion Coarse Grained Force ...
arxiv.org/abs/2312.05192 Private View
Despite the intense activity at the electronic and atomistic resolutions, coarse grained (CG) modeling of MOFs remains largely unexplored. One of the main reasons for this is the lack of adequate CG force fields. In this work, we present Iterative Boltzmann Inversion (IBI) and Force Matching (FM) force fields for modeling ZIF-8 in three different coarse grained resolutions. Their ability of ...
Despite the intense activity at the electronic and atomistic resolutions, coarse grained (CG) modeling of MOFs remains largely unexplored. One of the main reasons for this is the lack of adequate CG force fields. In this work, we present Iterative Boltzmann Inversion (IBI) and Force Matching (FM) force fields for modeling ZIF-8 in three different coarse grained resolutions. Their ability of ...