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Research Progress on Metallic Heterostructure Materials
link.springer.com/article/10.1007/s12666-024-03339-3 Private View
Heterostructured materials (HS) are a new type of novel materials that overcome the strength–conductivity trade-off due to significant differences in mechanical and physical properties between heterogeneous regions, resulting in a synergistic strengthening mechanism.
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Heterostructured materials (HS) are a new type of novel materials that overcome the strength–conductivity trade-off due to significant differences in mechanical and physical properties between heterogeneous regions, resulting in a synergistic strengthening mechanism.
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
Zeolitic Imidazolate Frameworks (ZIFs) are nanoporous structures known to have thermal and chemical resilience. 1 Their prominence as one of the most extensively investigated Metal–Organic Frameworks (MOFs) is a testament to their transformative potential across a myriad of applications.
Zeolitic Imidazolate Frameworks (ZIFs) are nanoporous structures known to have thermal and chemical resilience. 1 Their prominence as one of the most extensively investigated Metal–Organic Frameworks (MOFs) is a testament to their transformative potential across a myriad of applications.
DEM Investigation of the Effect of Gradation on the Strength, Dilatancy ...
ascelibrary.org/doi/abs/10.1061/JGGEFK.GTENG-12310 Private View
Design of geosystems built on coarse-grained soils with broader gradations are typically based on methodologies developed for clean sands without explicit consideration of the effects of gradation, potentially leading to uncertainty in performance predictions. This study investigates the effect of changes in gradation on the shear strength, stress-dilatancy behavior, critical state parameters ...
Design of geosystems built on coarse-grained soils with broader gradations are typically based on methodologies developed for clean sands without explicit consideration of the effects of gradation, potentially leading to uncertainty in performance predictions. This study investigates the effect of changes in gradation on the shear strength, stress-dilatancy behavior, critical state parameters ...
Effect of equal channel angular pressing on magnesium alloys − A review
www.sciencedirect.com/science/article/pii/S2214785324003304 Private View
Primary method is top-down approach in which present coarse-grained structure in the material is subjected to process in order to produce nanostructured or ultrafine grain structured material. Second method is bottom-up method where nanostructured constituents are gathered from discrete molecules, atoms or nanoparticles. Few techniques under top-down approach are Equal Channel Angular Pressing ...
Primary method is top-down approach in which present coarse-grained structure in the material is subjected to process in order to produce nanostructured or ultrafine grain structured material. Second method is bottom-up method where nanostructured constituents are gathered from discrete molecules, atoms or nanoparticles. Few techniques under top-down approach are Equal Channel Angular Pressing ...
Micro-level unloading behaviors of clay aggregates: A coarse-grained ...
www.sciencedirect.com/science/article/pii/S0032591024005655 Private View
Combining the advantages of time step, meshing, simulated time, and accuracy, coarse-grained molecular dynamics simulations (CGMD) have been extensively adopted in the fields of computational materials science and physical chemistry. Generally, CGMD simulations can coarsen several atoms or molecules into individual beads. By reducing the ...
Combining the advantages of time step, meshing, simulated time, and accuracy, coarse-grained molecular dynamics simulations (CGMD) have been extensively adopted in the fields of computational materials science and physical chemistry. Generally, CGMD simulations can coarsen several atoms or molecules into individual beads. By reducing the ...
One-Dimensional Compression Fractal Theory and Experimental ...
ascelibrary.org/doi/10.1061/IJGNAI.GMENG-9255 Private View
Coarse-grained soil particles are suspectible to breakage under high-stress conditions, with particle breakage being the main reason for the compression of samples. The compression coefficient λ in the e –log σ ′ curve is closely related to the degree of particle breakage.
Coarse-grained soil particles are suspectible to breakage under high-stress conditions, with particle breakage being the main reason for the compression of samples. The compression coefficient λ in the e –log σ ′ curve is closely related to the degree of particle breakage.
In-situ observation of silk nanofibril assembly via graphene ... - Nature
www.nature.com/articles/s41467-024-49076-5 Private View
However, due to the usage of the coarse-grained model, this value does not correspond to 360 K in reality. So we used 0.8* T and T when referring to the coarse-grained simulation results.
However, due to the usage of the coarse-grained model, this value does not correspond to 360 K in reality. So we used 0.8* T and T when referring to the coarse-grained simulation results.
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. The extent to which the system is broken down...
Coarse-grained models are computational models that mimic the behaviour of a complex system by breaking it down into simpler sub-components. The extent to which the system is broken down...
Interparticle Interactions of Dendrimer, Comb, and Linear Grafted ...
pubs.acs.org/doi/10.1021/acs.macromol.4c00235 Private View
Here, we employ coarse-grained molecular dynamics simulations to examine the effect of ligand architecture, grafting density, and NP size on the dispersion behavior of polymer-grafted NPs. Among the ligand architectures studied (linear, dendron, and comb), comb ligands with short backbones (BBs) and high side chain densities (SCDs) (i.e., number of side chains per BB bead) yield the highest ...
Here, we employ coarse-grained molecular dynamics simulations to examine the effect of ligand architecture, grafting density, and NP size on the dispersion behavior of polymer-grafted NPs. Among the ligand architectures studied (linear, dendron, and comb), comb ligands with short backbones (BBs) and high side chain densities (SCDs) (i.e., number of side chains per BB bead) yield the highest ...
Evaluation of Essential Dynamics and Fixed-Length Coarse Graining for ...
testpubschina.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 ...
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Materials | Free Full-Text | Effect of Rotary Swaging on Mechanical ...
www.mdpi.com/1996-1944/17/11/2525 Private View
Abdulstaar et al. found that the fatigue limit of the swaged fine-grained 1050 Al was about 125% higher than that of the original coarse-grained material . They also pointed out that the more limited ductility and hardening ability of the swaged material increased the fatigue crack growth rate . Klumpp et al. found a strengthening effect of ...
Abdulstaar et al. found that the fatigue limit of the swaged fine-grained 1050 Al was about 125% higher than that of the original coarse-grained material . They also pointed out that the more limited ductility and hardening ability of the swaged material increased the fatigue crack growth rate . Klumpp et al. found a strengthening effect of ...
Fluctuating entropy production on the coarse-grained level: Inference ...
journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.6.023175 Private View
If the observable level fails to capture all relevant degrees of freedom, some form of effective, coarse-grained dynamics naturally emerges for which the principles of stochastic thermodynamics generally cease to be applicable straightforwardly.
If the observable level fails to capture all relevant degrees of freedom, some form of effective, coarse-grained dynamics naturally emerges for which the principles of stochastic thermodynamics generally cease to be applicable straightforwardly.
The multi-scale polarizable pseudo-particle solvent coarse-grained ...
www.semanticscholar.org/paper/The-multi-scale-polarizable-pseudo-particle... Private View
We discuss key parameters that affect the reliability of hybrid simulations in the aqueous phase based on an efficient multi-scale coarse-grained polarizable pseudo-particle approach, denoted as pppl, to model the solvent water, whereas solutes are modeled using an all atom polarizable force field. Among those parameters, the extension of the solvent domain (SD) at the solute vicinity (domain ...
We discuss key parameters that affect the reliability of hybrid simulations in the aqueous phase based on an efficient multi-scale coarse-grained polarizable pseudo-particle approach, denoted as pppl, to model the solvent water, whereas solutes are modeled using an all atom polarizable force field. Among those parameters, the extension of the solvent domain (SD) at the solute vicinity (domain ...
Mesoscopic simulation of strength and deformation characteristics of ...
ytlx.whrsm.ac.cn/EN/Y2013/V34/I7/2077 Private View
Abstract: Coarse grained material is the aggregation of rock particles with certain gradation, which has special physical and mechanical properties.
Abstract: Coarse grained material is the aggregation of rock particles with certain gradation, which has special physical and mechanical properties.
CGeNArate: a sequence-dependent coarse-grained model of DNA for ...
academic.oup.com/nar/advance-article/doi/10.1093/nar/gkae444/7685160 Private View
Materials and methods. CGeNArate is intended to simulate duplex DNA, not extremely far from the equilibrium geometry (as it happens in chromatin). The method uses 1 bead per nucleotide located at the C1’ atom position of the sugar, which facilitates the Machine-Learning back-mapping to the atomistic level and allows a reasonable description of DNA shape. Hamiltonian definition. The energy ...
Materials and methods. CGeNArate is intended to simulate duplex DNA, not extremely far from the equilibrium geometry (as it happens in chromatin). The method uses 1 bead per nucleotide located at the C1’ atom position of the sugar, which facilitates the Machine-Learning back-mapping to the atomistic level and allows a reasonable description of DNA shape. Hamiltonian definition. The energy ...
Journal of Geophysical Research: Solid Earth
agupubs.onlinelibrary.wiley.com/doi/full/10.1029/2023JB028312 Private View
We report here abundant fine magnetite crystals, in close association with goethite, within coarse-grained sediments from two adjacent methane seepage sites in the South China Sea. The magnetite- and goethite-rich horizons have sharply increased Zr/Ti, Zr/Rb, Ti/Al, and Fe/Al ratios, probably reflecting deposition by turbidity currents. Deeper intervals have elevated pyrite content, positive ...
We report here abundant fine magnetite crystals, in close association with goethite, within coarse-grained sediments from two adjacent methane seepage sites in the South China Sea. The magnetite- and goethite-rich horizons have sharply increased Zr/Ti, Zr/Rb, Ti/Al, and Fe/Al ratios, probably reflecting deposition by turbidity currents. Deeper intervals have elevated pyrite content, positive ...
Magnetic properties of sediments within the water-level ... - Springer
link.springer.com/article/10.1007/s11368-024-03808-8 Private View
Coarse-grained materials transported by upstream rivers are selectively deposited within the fluctuating backwater area during periods of intense floods (Liro 2016). In the case of the TGR, the discharge of drainage water coincides with the natural flooding season from June to August (Tang et al. 2021; Liu et al. 2022). Consequently, the upper ...
Coarse-grained materials transported by upstream rivers are selectively deposited within the fluctuating backwater area during periods of intense floods (Liro 2016). In the case of the TGR, the discharge of drainage water coincides with the natural flooding season from June to August (Tang et al. 2021; Liu et al. 2022). Consequently, the upper ...
Overcoming plasticity reduction in a severely deformed nano-grained ...
www.tandfonline.com/doi/full/10.1080/21663831.2024.2356761 Private View
The alloy was subjected to severe plastic deformation (SPD) process by high-pressure torsion (HPT) [Citation 25] to obtain an ultra-fine-grained (UFG) or nano-grained (NG) microstructure. The conventional nanocrystalline materials tend to exhibit limited uniform elongation because of the lack of strain-hardening capability, which is related to the effects of a grain size reduction. This is ...
The alloy was subjected to severe plastic deformation (SPD) process by high-pressure torsion (HPT) [Citation 25] to obtain an ultra-fine-grained (UFG) or nano-grained (NG) microstructure. The conventional nanocrystalline materials tend to exhibit limited uniform elongation because of the lack of strain-hardening capability, which is related to the effects of a grain size reduction. This is ...
Study of scale effect of large-scale triaxial test of coarse-grained ...
ytlx.whrsm.ac.cn/EN/Y2008/V29/IS1/563 Private View
Key words: coarse-grained material, large-scale triaxial test, scale effect, stress-strain-strength characteristics. CLC Number: TU 43. Please send e-mail to pingzhou3@126.com if you would like to read full paper in English for free. Parts of our published papers have English translations. TRENDMD. Cite this article.
Key words: coarse-grained material, large-scale triaxial test, scale effect, stress-strain-strength characteristics. CLC Number: TU 43. Please send e-mail to pingzhou3@126.com if you would like to read full paper in English for free. Parts of our published papers have English translations. TRENDMD. Cite this article.
The Amber Force Fields
ambermd.org/AmberModels_sirah.php Private View
Coarse-grained simulations with SIRAH. SIRAH Software and Download The South American Initiative for a Rapid and Accurate Hamiltonian (SIRAH) force field is a coarse grain model for biomolecules. SIRAH Tutorials for Amber The SIRAH coarse grain force field has been implemented in Amber. SIRAH has made a suite of tutorials specifically for Amber. "How's that for maxed out?" Last modified: May ...
Coarse-grained simulations with SIRAH. SIRAH Software and Download The South American Initiative for a Rapid and Accurate Hamiltonian (SIRAH) force field is a coarse grain model for biomolecules. SIRAH Tutorials for Amber The SIRAH coarse grain force field has been implemented in Amber. SIRAH has made a suite of tutorials specifically for Amber. "How's that for maxed out?" Last modified: May ...