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Predicting the mechanical properties of organic semiconductors using coarse-grained molecular dynamics simulations
The ability to predict the mechanical properties of organic semiconductors is of critical
importance for roll-to-roll production and thermomechanical reliability of organic electronic …
importance for roll-to-roll production and thermomechanical reliability of organic electronic …
A neural network constitutive model for hyperelasticity based on molecular dynamics simulations
Numerical analysis of the hyperelastic behavior of polymer materials has drawn significant
interest from within the field of mechanical engineering. Currently, hyperelastic models …
interest from within the field of mechanical engineering. Currently, hyperelastic models …
A multiscale multisurface constitutive model for the thermo-plastic behavior of polyethylene
We present a multiscale model bridging length and time scales from molecular to continuum
levels with the objective of predicting the yield behavior of amorphous glassy polyethylene …
levels with the objective of predicting the yield behavior of amorphous glassy polyethylene …
Thickness-dependent mechanical failure in thin films of glassy polymer bidisperse blends
Although many studies have analyzed the various properties of glassy polymer thin films, the
failure mode and nonlinear mechanical response have only recently received attention. Due …
failure mode and nonlinear mechanical response have only recently received attention. Due …
Group contribution coarse-grained molecular simulations of polystyrene melts and polystyrene solutions in alkanes using the SAFT-γ force field
A coarse-grained (CG) model for atactic polystyrene is presented and studied with classical
molecular-dynamics simulations. The interactions between the CG segments are described …
molecular-dynamics simulations. The interactions between the CG segments are described …
Failure and mechanical properties of glassy diblock copolymer thin films
Block copolymer self-assembly is affected by nanoscale confinement, which has long been
known to affect interchain entanglements and dynamics of polymers. While most previous …
known to affect interchain entanglements and dynamics of polymers. While most previous …
Programmed shape-dependence of shape memory effect of oriented polystyrene: A molecular dynamics study
Oriented polystyrene (PS) has attracted attention due to its capability of sequential self-
folding behaviors by infrared (IR) light heating. It has been seen that temporal changes of …
folding behaviors by infrared (IR) light heating. It has been seen that temporal changes of …
Atomistic investigation of material deformation behavior of polystyrene in nanoimprint lithography
J Odujole, S Desai - Surfaces, 2020 - mdpi.com
This research investigates deformation behavior of polystyrene (PS) as a thermoplastic
resist material for the thermal nanoimprint lithography (T-NIL) process. Molecular dynamics …
resist material for the thermal nanoimprint lithography (T-NIL) process. Molecular dynamics …
A strain energy density potential for non-crystalline solids using molecular interactions
Non-crystalline solids have important applications in engineering and science. To predict
the stress-strain behaviour of these materials, this work constructs an efficient strain energy …
the stress-strain behaviour of these materials, this work constructs an efficient strain energy …
[PDF][PDF] Multiscale modeling of the fracture behavior of glassy polymers across the atomistic and continuum scale
W Zhao - 2023 - opus4.kobv.de
Polymer materials started to play an important role in engineering applications in the last
century. Simultaneously, polymer science has been established and further developed …
century. Simultaneously, polymer science has been established and further developed …