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This dataset contains the simulation trajectory files for producing the key findings (figures and plots) in the manuscript “Thermodynamic origin of multi-step polymer crystallization”. Example simulation files for our simulation protocols are also included. To view the directory structure for the files, change File view to 'Tree'

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AbstractAngiosperms display a wide variety of inflorescence architectures differing in the positions where flowers or branches arise. The expression of floral meristem identity (FMI) genes determines when and where flowers are formed. In Arabidopsis thaliana, this is regulated via transcription of LEAFY (LFY), which encodes a transcription factor that promotes FMI. We found that this is regulated in petunia (Petunia hybrida) via transcription of a distinct gene,

In the first seven months of 1985, 1759 members were elected. The top sponsors, AGU members sponsoring three or more new members, are listed below.

We investigate the effects of entanglement on polymer crystallization using atomistic molecular dynamics simulations of linear and cyclic polyethylene (PE). While linear chains entangle with their neighbors, unlinked rings adopt compact conformations and do not exhibit conventional entanglements. By isotropically compressing linear chains, we also systematically reduce the entanglement density in PE melts without enhancing any local order that may promote crystallization. After demonstrating tha

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We investigate the effects of entanglement on polymer crystallization using atomistic molecular dynamics simulations of linear and cyclic polyethylene (PE). While linear chains entangle with their neighbors, unlinked rings adopt compact conformations and do not exhibit conventional entanglements. By isotropically compressing linear chains, we also systematically reduce the entanglement density in PE melts without enhancing any local order that may promote crystallization. After demonstrating tha

We apply molecular dynamics simulations to quantify the effects of free surfaces and interfacial regions on crystallization in freestanding and bilayer polymer films. We show that enhanced crystal nucleation in polymer thin films is quantitatively correlated to faster local segmental dynamics induced by free surfaces. When a second layer is deposited onto a semicrystalline film, we observe rapid primary nucleation near the free surface, secondary nucleation near the semicrystalline interface, an

A summary of the on-going preparations from the ATLAS and CMS collaborations to perform top quark physics in Run II of the LHC and at the HL-LHC is given. To maintain the current level of precision and profit from the high-luminosity scenario expected in the next runs of the LHC, several new reconstruction techniques and detector upgrades are foreseen. The prospects for precise measurements and possible discovery stories for new physics with top quarks are summarized.