Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl
Sign Up to like & getrecommendations! Published in 2021 at "Nature Chemistry"
DOI: 10.1038/s41557-020-00612-y
Abstract: The desire to better understand the quantum nature of isomerization led to recent experimental observations of the vibrationally induced isomerization of OC–NaCl(100) to CO–NaCl(100). To investigate the mechanism of this isomerization, we performed dynamics calculations… read more here.
Keywords: quasiclassical simulations; simulations based; isomerization; nacl 100 ... See more keywords
Yarn Tensile Experiments and Numerical Simulations Based on the Decomposition of Stratospheric Airship Envelopes
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Aerospace Engineering"
DOI: 10.1061/(asce)as.1943-5525.0000833
Abstract: AbstractAs a cost-effective high-altitude platform, stratospheric airships have attracted widespread research interest. A number of studies focused on the mechanical performance of the airship enve... read more here.
Keywords: experiments numerical; tensile experiments; simulations based; yarn tensile ... See more keywords
Classical and Learned MR to Pseudo-CT Mappings for Accurate Transcranial Ultrasound Simulation
Sign Up to like & getrecommendations! Published in 2022 at "IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control"
DOI: 10.1109/tuffc.2022.3198522
Abstract: Model-based treatment planning for transcranial ultrasound therapy typically involves mapping the acoustic properties of the skull from an X-ray computed tomography (CT) image of the head. Here, three methods for generating pseudo-CT (pCT) images from… read more here.
Keywords: pct; transcranial ultrasound; classical learned; learned pseudo ... See more keywords
Solar cell simulations based on ab initio methods [Invited]
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DOI: 10.1364/ome.425048
Abstract: Solar cell simulations have become an essential tool for the design of more efficient types of photovoltaic devices. However, it is not widely known that in principle, the simulation of a solar cell can be… read more here.
Keywords: initio methods; based initio; simulations based; cell ... See more keywords