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The 2021 room-temperature superconductivity roadmap
Designing materials with advanced functionalities is the main focus of contemporary solid-
state physics and chemistry. Research efforts worldwide are funneled into a few high-end …
state physics and chemistry. Research efforts worldwide are funneled into a few high-end …
[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …
revolutionized the field of condensed matter physics providing the first glimpse to the …
Semimetallic molecular hydrogen at pressure above 350 GPa
According to theoretical predictions, insulating molecular hydrogen dissociates and
transforms into an atomic metal at pressures P≈ 370–500 GPa (refs.,–). In another scenario …
transforms into an atomic metal at pressures P≈ 370–500 GPa (refs.,–). In another scenario …
[HTML][HTML] Toward first principles-based simulations of dense hydrogen
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
Black metal hydrogen above 360 GPa driven by proton quantum fluctuations
Hydrogen metallization under stable conditions is a substantial step towards the realization
of the first room-temperature superconductor. Recent low-temperature experiments,–report …
of the first room-temperature superconductor. Recent low-temperature experiments,–report …
Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer
Water is a key ingredient for life and plays a central role as solvent in many biochemical
reactions. However, the intrinsically quantum nature of the hydrogen nucleus, revealing itself …
reactions. However, the intrinsically quantum nature of the hydrogen nucleus, revealing itself …
Reactive molecular dynamics simulation of thermal decomposition for nano-aluminized explosives
Z Mei, Q An, FQ Zhao, SY Xu, XH Ju - Physical Chemistry Chemical …, 2018 - pubs.rsc.org
Aluminized explosives have important applications in civil construction and military
armaments, but their thermal decomposition mechanisms are not well characterized. Here …
armaments, but their thermal decomposition mechanisms are not well characterized. Here …
First principles simulations of dense hydrogen
Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
astrophysics (eg planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …
Energy gap closure of crystalline molecular hydrogen with pressure
We study the gap closure with pressure of crystalline molecular hydrogen. The gaps are
obtained from grand-canonical quantum Monte Carlo methods properly extended to …
obtained from grand-canonical quantum Monte Carlo methods properly extended to …
[HTML][HTML] Ab initio molecular dynamics on quantum computers
Ab initio molecular dynamics (AIMD) is a valuable technique for studying molecules and
materials at finite temperatures where the nuclei evolve on potential energy surfaces …
materials at finite temperatures where the nuclei evolve on potential energy surfaces …