Stable and metastable structures and their energetics of asymmetric tilt grain boundaries in MgO: a simulated annealing approach
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Materials Science"
DOI: 10.1007/s10853-020-05488-4
Abstract: A simulated annealing (SA) method based on molecular dynamics is employed to reveal atomic structures of asymmetric tilt grain boundaries (ATGBs) in MgO. Σ5 and Σ13 ATGBs with the [001] tilt axis are systematically investigated.… read more here.
Keywords: metastable structures; asymmetric tilt; tilt grain; grain boundaries ... See more keywords
Metastable structures in magnetron sputtered W–Zr thin-film alloys
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2021.161558
Abstract: Abstract Binary W–Zr thin-film alloys with different metastable structures were prepared by dc magnetron co-sputtering of W and Zr targets in argon atmosphere on unheated and unbiased substrates. The effect of the elemental composition on… read more here.
Keywords: thin film; structures magnetron; film alloys; solid solution ... See more keywords
Metastable Structures in Cluster Catalysis from First-Principles: Structural Ensemble in Reaction Conditions and Metastability Triggered Reactivity.
Sign Up to like & getrecommendations! Published in 2018 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.7b11239
Abstract: Reactivity studies on catalytic transition metal clusters are usually performed on a single global minimum structure. With the example of a Pt13 cluster under a pressure of hydrogen, we show from first-principle calculations that low… read more here.
Keywords: metastable structures; catalysis; reaction conditions; reactivity ... See more keywords
Magnetic diversity in stable and metastable structures of CrAs
Sign Up to like & getrecommendations! Published in 2017 at "Physical Review B"
DOI: 10.1103/physrevb.96.134116
Abstract: Busheng Wang,1,2 Qing Lu,2 Yanfeng Ge,1 Kaicheng Zhang,3 Wenhui Xie,4 Wu-Ming Liu,2,* and Yong Liu1,† 1State Key Laboratory of Metastable Materials Science & Technology and Key Laboratory for Microstructural Material Physics of Hebei Province, School… read more here.
Keywords: metastable structures; diversity stable; magnetic diversity; physics ... See more keywords
A genetic selection reveals functional metastable structures embedded in a toxin-encoding mRNA
Sign Up to like & getrecommendations! Published in 2019 at "eLife"
DOI: 10.7554/elife.47549
Abstract: Post-transcriptional regulation plays important roles to fine-tune gene expression in bacteria. In particular, regulation of type I toxin-antitoxin (TA) systems is achieved through sophisticated mechanisms involving toxin mRNA folding. Here, we set up a genetic… read more here.
Keywords: reveals functional; regulation; genetic selection; selection reveals ... See more keywords