Results 11 to 20 of about 2,903,061 (286)

Viscoelastic Response of Neurofilaments: An Atomistic Simulation Approach [PDF]

open access: yesBiomolecules, 2021
Existent literature has limitations regarding the mechanical behavior of axonal cytoskeletal components in a high strain rate scenario, which is mainly due to limitations regarding the structure of some components such as tau protein and neurofilaments ...
Md Ishak Khan   +3 more
doaj   +2 more sources

Nonequilibrium Thermodynamics of Polymeric Liquids via Atomistic Simulation [PDF]

open access: yesEntropy, 2022
The challenge of calculating nonequilibrium entropy in polymeric liquids undergoing flow was addressed from the perspective of extending equilibrium thermodynamics to include internal variables that quantify the internal microstructure of chain-like ...
Brian Joseph Edwards   +2 more
doaj   +2 more sources

Atomistic Models and Molecular Dynamics [PDF]

open access: yes, 2007
Here we show how atomistic computer simulation can help experiment unravel the rich structuralcomplexity of oxide nanomaterials and, ultimately, aid the fabrication of nanomaterials withimproved, tuneable or indeed new properties.
Sayle, Thi X. T., Sayle, Dean C.
core   +8 more sources

Developments in Atomistic and Nano Structure Evolution Mechanisms of Molten Slag Using Atomistic Simulation Methods [PDF]

open access: yesNanomaterials
Molten slag has different properties depending on its composition. The relationship between its composition, structure, and properties has been the focus of attention in industrial manufacturing processes.
Chunhe Jiang   +6 more
doaj   +2 more sources

Computational uncertainty in hybrid atomistic-continuum frameworks [PDF]

open access: yes, 2011
This paper was presented at the 3rd Micro and Nano Flows Conference (MNF2011), which was held at the Makedonia Palace Hotel, Thessaloniki in Greece.
Asproulis, N   +2 more
core   +6 more sources

Atomistic aspects of ductile responses of cubic silicon carbide during nanometric cutting [PDF]

open access: yes, 2011
Cubic silicon carbide (SiC) is an extremely hard and brittle material having unique blend of material properties which makes it suitable candidate for microelectromechanical systems and nanoelectromechanical systems applications.
Reuben, Robert L   +15 more
core   +5 more sources

Crystal-Structure Analysis with Moments of the Density-of-States: Application to Intermetallic Topologically Close-Packed Phases

open access: yesCrystals, 2016
The moments of the electronic density-of-states provide a robust and transparent means for the characterization of crystal structures. Using d-valent canonical tight-binding, we compute the moments of the crystal structures of topologically close-packed (
Thomas Hammerschmidt   +3 more
doaj   +1 more source

Atomistic Simulation of Ultrasonic Welding of Copper

open access: yesMetals, 2022
Molecular dynamics simulations of ultrasonic welding of two blocks of fcc copper containing asperities under the conditions of a constant clamping pressure and sinusoidal shear displacements were performed.
Ayrat A. Nazarov   +2 more
doaj   +1 more source

Atomistic grain boundary migration in Al2O3

open access: yesInternational Journal of Ceramic Engineering & Science, 2023
Grain boundary (GB) migration is one of the most important phenomena in materials science, which plays a key role in modifying the microstructures and properties of polycrystalline ceramic materials.
Bin Feng   +3 more
doaj   +1 more source

BioAFMviewer software for simulation atomic force microscopy of molecular structures and conformational dynamics

open access: yesJournal of Structural Biology: X, 2023
Atomic force microscopy (AFM) and high-speed scanning have significantly advanced real time observation of biomolecular dynamics, with applications ranging from single molecules to the cellular level.
Romain Amyot   +2 more
doaj   +1 more source

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