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1.
Phys Chem Chem Phys ; 23(36): 20560-20566, 2021 Sep 22.
Artigo em Inglês | MEDLINE | ID: mdl-34505586

RESUMO

The discovery of graphite transition to transparent and superhard carbons under room-temperature compression (Takehiko, et al., Science, 1991, 252, 1542 and Mao, et al., Science, 2003, 302, 425) launched decades of intensive research into carbon's structural polymorphism and relative phase transition mechanisms. Although many possible carbon allotropes have been proposed, experimental observations and their transition mechanisms are far from conclusive. Three longstanding issues are: (i) the speculative structures inferred by amorphous-like XRD peaks, (ii) sp2 and sp3 bonding mixing, and (iii) the controversies of transition reversibility. Here, by utilizing the stochastic surface walking method for unbiased pathway sampling, we resolve the possible atomic structure and the lowest energy pathways between multiple carbon allotropes under high pressure. We found that a new transition pathway, through which graphite transits to a highly disordered phase by shearing the boat architecture line atoms out of the graphite (001) plane upward or downward featuring without the nuclei core, is the most favorable. This transition pathway facilitates the generation of a variety of equally favorable carbon structures that are controlled by the local strain and crystal orientation, resembling structural disordering. Our results may help to understand the nature of graphite under room temperature compression.

2.
Guang Pu Xue Yu Guang Pu Fen Xi ; 35(10): 2781-6, 2015 Oct.
Artigo em Chinês | MEDLINE | ID: mdl-26904818

RESUMO

With the global warming, people now pay more attention to the problem of the emission of greenhouse gas (CO2). Carbon capture and storage (CCS) technology is an effective measures to reduce CO2 emission. But there is a possible risk that the CO2 might leak from underground. However, there need to research and develop a technique to quickly monitor CO2 leaking spots above sequestration fields. The field experiment was performed in the Sutton Bonington campus of University of Nottingham (52. 8N, 1. 2W) from May to September in 2008. The experiment totally laid out 16 plots, grass (cv Long Ley) and beans (Vicia faba cv Clipper) were planted in eight plots, respectively. However, only four grass and bean plots were stressed by the CO2 leakage, and CO2 was always injected into the soil at a rate of 1 L x min(-1). The canopy spectra were measured using ASD instrument, and the grass was totally collected 6 times data and bean was totally collected 3 times data. This paper study the canopy spectral characteristics of grass and beans under the stress of CO2 microseepages through the field simulated experiment, and build the model to detect CO2 microseepage spots by using hyperspectral remote sensing. The results showed that the canopy spectral reflectance of grass and beans under the CO2 leakage stress increased in 580-680 nm with the stressed severity elevating, moreover, the spectral features of grass and beans had same rule during the whole experimental period. According to the canopy spectral features of two plants, a new index AREA(5800680 nm) was designed to detect the stressed vegetations. The index was tested through J-M distance, and the result suggested that the index was able to identify the center area and the core area grass under CO2 leakage stress, however, the index had a poor capability to discriminate the edge area grass from control. Then, the index had reliable and steady ability to identify beans under CO2 leakage stress. This result could provide theoretical basis and methods for detecting CO2 leakage spots using hyperspectral remote sensing in the future.

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