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En route to superhard and 1D conductive carbon allotropes via unusual sp 2–sp 3 bonding configuration

En route to superhard and 1D conductive carbon allotropes via unusual sp 2–sp 3 bonding configuration
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Liaoning Province , Technology Development Joint Fund Project Grant No , Key Laboratory Of Superhard Materials No , Vienna Ab Initio Simulation Package , Projector Augmented Wave , Jilin Provincial Science , Technology Development Joint Fund Project , Technological Research Project , Jilin Provincial Education Department , Educational Scientific Research Project , Open Project , State Key Laboratory , Superhard Materials ,

Perlmutter Supercomputer Provides Peek into Interior of Ice Giant Planets

Perlmutter Supercomputer Provides Peek into Interior of Ice Giant Planets
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United States , Felipe Gonz , Burkhard Militzer , Planetary Sciences Ph , Militzer Group , National Energy Research Scientific Computing Center , Nature Communications , Kyla De Villa , Vienna Ab Initio Simulation Package ,

Chalcogen isotopes reveal limited volatile contribution from late veneer to Earth

Chalcogen isotopes reveal limited volatile contribution from late veneer to Earth
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Monte Carlo , University Of Science , Technology Of China , Chinese Academy Of Sciences Hundred Talents Program , National Natural Science Foundation Of China , Supplementary Materials , Solar System , Simulation Package , National Natural Science Foundation , Chinese Academy , Sciences Hundred Talents Program , Carnegie Postdoctoral , Supercomputing Center , Vienna Ab Initio Simulation Package ,

Intrinsically low lattice thermal conductivity in layered Mn3Si2Te6

Intrinsically low lattice thermal conductivity in layered Mn3Si2Te6
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Vienna Ab Initio Simulation Package , National Natural Science Foundation ,

"Structure and enhanced dielectric temperature stability of BaTiO sub 3" by Xuewen Jiang, Hua Hao et al.

Abstract
Capacitor is an important part of many electronic devices, so the temperature stability as one key parameter of capacitor needs to be improved constantly for meeting the requirements of various application temperature. Here, combined with the X-ray diffraction (XRD), selected area electron diffraction (SAED) and Vienna Ab-initio Simulation Package (VASP) calculation, it was confirmed that Ca ion can substitute the Ti site in the BaTi Ca O [BTC100×] (0 ≤ x ≤ 0.05) ceramics synthesized by solid-phase method which greatly improved the low-temperature stability of dielectric constant. Moreover, introducing Bi and Zn into BTC4 to form (1-y)BaTi Ca O -yBi(Zn Ti )O [(1-y)BTC4-yBZT] (0.1 ≤ y ≤ 0.2) ceramics can further improve the dielectric-temperature stability by means of diffused phase transition and core-shell structure. Most importantly, the 0.85BTC4-0.15BZT ceramics with a pseudocubic perovskite structure possessed a temperature coefficient of capacitance ....

Vienna Ab Initio Simulation Package , வியன்னா அப இனிட்ிஓ உருவகப்படுத்துதல் ப்யாகேஜ் ,