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Dave Faris Greatest Hits  .Molecular dynamics study on the role of H-bond interactions in the temperature-induced glass transition of CH3NH3PbBr3 perovskites.
We study the structural and dynamical properties of CH3NH3PbX3 (X = Cl, Br, I) systems, employing classical molecular dynamics simulations, which are complemented by the analysis of the radial distribution functions of the CH3NH3+ and PbX-X symmetric and asymmetric interactions. We find that the structural patterns and dynamics are in good qualitative agreement with the structural and dynamical results obtained from X-ray and neutron diffraction studies. We show that the H-bond dynamics are responsible for the temperature-induced structural transition from cubic to orthorhombic morphology with lowering the temperature from around 300 to 150 K. These results provide further understanding of the glass transition dynamics of CH3NH3PbX3 perovskites, which could be linked to their synthesis and processing, and to the formation of ordered phases in experiments.
Computation is for the Geeks, says Martin Henschel. – stoltzfus
======
dorfsmay
I know where the author was going with it, but it’s usually better to make the
exercise of programming a case of abstraction over your current problem, not
another.
I used to work on an application where, to implement some mechanic, I first
had to abstract the mechanic from the application. So making a system to
calculate maximum efficiency on trains was no good, making it work for every
type of train was.
——
smtddr
I don’t understand what the site is about. Why is this video worth a HN
submission? The comments are mostly how their clients got screwed up, not
really a discussion of the topic.
Please edit and link to article/book/pdf/other-media.
~~~
stoltzfus
The sites a video of Prof. Henschel’s PhD dissertation being presented as a
TEDx Talk (TED is a non-profit organization that sponsors lectures and forums
on major social and cultural issues.
He did talk about his work in progress where they’re
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MP3. Lets crack  .
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Concentration and kinetics of hydrogen peroxide in mitochondria and microsomes obtained by direct isolation from different tissues of rabbits.
Mitochondria and microsomes obtained by direct isolation from kidney, skeletal muscle, liver, heart, and lung of rabbits, were used to study the concentration and the kinetics of hydrogen peroxide (H2O2) generation during the cytochrome c-reducing (S-state 4) and the adenosine diphosphate-stimulated respiration (S-state 5) in mitochondria and the NADPH-cytochrome c reductase-stimulated (S-state 1) respiration in microsomes. Mitochondria exhibited a higher rate of H2O2 production than microsomes, and in a given tissue the H2O2 production rate in mitochondria was higher than in microsomes. These findings show that mitochondria are more susceptible to H2O2 as compared to the microsomes, and suggest that H2O2 production is an important factor in the regulation of mitochondrial functions.Statistical investigation of the effect of water and sodium sorbate on the formation of calcium oxalate crystals.
To understand the effect of water and sodium sorbate on the formation of calcium oxalate crystals, the morphology of calcium oxalate crystals was investigated, the calcium ions and oxalate anions were determined, and the surface energy of the particles was calculated. The morphology of the microcrystals was observed by scanning electron microscopy. A X-ray diffractometer was used to measure the crystalline features of the microcrystals. The chemical content of the microcrystals was determined using
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Gov. Tom Corbett signed legislation Friday that ended furloughs for employees and rehired them to work up to 20 hours a week. The move had been held up by a legal challenge that was likely to force the state to extend the furlough.
“While this action does not address every concern of the district, it is an important first step in the right direction,” said the district’s chancellor.
Under the plan, schools will be open but will operate with a smaller staff, are requesting that parents and students report to school early and that there be a no-miss policy for school buses.
“The strike is over,” said Philadelphia School District parent Beth Gillette. “The true agenda here was getting the students back in school. And we’ve done that.”
While the plan announced Tuesday includes some of the original demands of the strikers, the district also announced that it is seeking other possible savings – more than $34 million in unused space and about 100 vacant or underused positions.
The district, which has 1,100 furloughed teachers, reduced its spending for next year to $505 million from $520 million.
Besides furloughs, those who did report to work and teachers who did not strike could be paid next week. But those who remained in
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