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61.
62.
The thermal conductivity of graphene nanoribbons (GNRs) functionalized by the chemical attachment of methyl and phenyl groups at random positions is calculated using reverse nonequilibrium molecular dynamics. The GNRs exhibit a rapid drop in thermal conductivity with increasing degree of functionalization; a functional group coverage regime of as little as 1.25% of GNR atoms reduces the thermal conductivity by about 50%. The thermal conductivity of nanoribbons with zigzag edges is more sensitive in the degree of functionalization than nanoribbons with armchair edges. The simulation results indicate that the rapid drop in thermal conductivity is a consequence of the higher angular momentum of functional groups, which rotate the unsupported sp3 bonds and thus reduce the phonon mean free paths. 相似文献
63.
Alcohols are frequently used in hydrate communities as thermodynamic hydrate inhibitors, but some alcohol molecules are also known to be hydrate formers with a help gas. In this study, the crystal structures of binary 1-propanol+methane hydrates at various temperatures were identified using neutron powder diffraction analysis with Rietveld refinement. Characteristic behaviors of the guest molecules in the hydrate structure were also analyzed to verify possible host-guest interactions from the refinement results. The results showed that the thermal factors of host water and guest methane increased continuously as the temperature increased. However, the isotropic thermal factors (B values) of 1-propanol were abnormally high compared to those of methane in the small cages of structure II (sII) hydrates, which could be because the 1-propanol molecules were off-centered in the large cages of sII hydrates. This implies that hydrogen bonding interactions between host and guest molecules can occur in the large cages of sII hydrates. The present findings may lead to a better understanding of the nature of guest-host interactions that occur in alcohol hydrates. 相似文献
64.
Byung Hoon Jo Jaoon Y.H. Kim Jeong Hyun Seo Hyung Joon Cha 《International Journal of Hydrogen Energy》2014
H2 production under aerobic conditions has been proposed as an alternative method to overcome the fundamentally low yield of H2 production by fermentative bacteria by maximizing the number of electrons that are available for H2. Here, we engineered Vitreoscilla hemoglobin (VHb) in Escherichia coli to study the effects of this versatile oxygen (O2)-binding protein on oxic H2 production in a closed batch system that was supplemented with glucose. The H2 yields that were obtained with the VHb-expressing E. coli were greatly enhanced in comparison to the negative control cells in culture that started with high O2 tensions. The formate hydrogen lyase (FHL) activity of oxically cultured, VHb-expressing cells was also much higher than that of the negative control cells. Through inhibitor studies and time-course experiments, VHb was shown to contribute to the improved H2 yield primarily by increasing the efficiency of cellular metabolism during the aerobic phase before the onset of H2 production and not by working as an O2-scavenger during H2 production. This new approach allowed more substrate to remain to be further utilized for the production of more H2 from limited resources. We expect that VHb can be successfully engineered in potential aerobic H2-producing microbial systems to enhance the overall H2 production yield. In addition, the remarkably high FHL activity of oxically grown, VHb-expressing cells may make this engineered strain an attractive whole-cell biocatalyst for converting formate to H2. 相似文献
65.
Jiyoung Choi Toshio Takayama Hwan-Chul Yu Chan-Moon Chung Kazuaki Kudo 《Polymer》2012,53(6):1328-1338
Nanoporous films were prepared with alicyclic copolyimides (coPIs) having polypropylene glycol (PPG) side chains by way of spontaneous phase separation in the film forming process and the subsequent thermal degradation of PPG moieties. PIs having various content (6.5, 11.9, 26.3, 52.7 wt%) and different length (Mw = 1.2 × 103 and 2.4 × 103) of PPG side chains were examined in order to clarify the relationship between chemical structure and pore characteristics. Nanopores were formed by heating the coPI films at 200 °C for 9 h under slightly reduced pressure. The size and the number of the pores observed by SEM varied depending on the content and molecular weight of PPG moieties. In many cases, the pore size was larger than those of the reported values for related aromatic copolyimide films. The dielectric constant of the nanoporous films ranged from 2.52 to 3.38. 相似文献
66.
Hak In Gimm Ki Up Cha Chang Ki Cho 《Journal of Mechanical Science and Technology》2012,26(5):1463-1470
The behavior of shock vibration for a medium caliber gun barrel was experimentally investigated and then, numerical modal analysis, a signal processing technique as well shock response analysis were carried out en route to the detailed analyses. This approach was initiated by identifying mode frequencies from the numerical model and thus the frequencies were clarified using the periodogram together with the spectrogram based on the time frequency analysis. A shock response analysis was employed to draw more physical interpretations regarding the barrel behaviors due to firing shock. In this paper, therefore, the overall process of shock vibration analysis was demonstrated for analyzing the shock behavior of the gun barrel. 相似文献
67.
Y. S. Yun H. S. Nam P. -R. Cha W. T. Kim D. H. Kim 《Metals and Materials International》2014,20(1):105-111
Atomic size differences between constituting elements and the heat of mixing are key factors in designing a metallic glass system. In this study, the effects of atomic size differences and the heat of mixing on the glass-forming ability and the local structure of metallic glasses were studied via molecular dynamic simulations of an ideal system known as the Lennard-Jones embedded-atom method model. The atomic size difference and the heat of mixing of the system were varied by means of the Lennard-Jones parameters. The glass transition behavior was characterized based on the chemical short-range order and by a Voronoi analysis. Our simulations lead to optimized windows of atomic size differences and heat of mixing parameters for metallic glass-forming of the model system. Both a greater negative heat of mixing and a larger atomic size difference are necessary for the enhancement of the glass-forming ability. 相似文献
68.
Young-Joon Park Yong-Min Cho Woo-Yeol Cha Youn-Bae Kang 《Journal of the American Ceramic Society》2020,103(3):2210-2224
In order to effectively remove alumina inclusions suspending in ultra-low C steel during RH process, the dissolution kinetics of alumina in molten CaO–Al2O3–FetO–MgO–SiO2 oxide was investigated. A crucible dissolution technique was used where the alumina crucible was allowed to dissolve in the slag of various conditions ((% CaO)/(% Al2O3), (% FetO), temperature). The obtained data were interpreted using a kinetic mass transport equation to obtain the mass transport coefficient (km) in each condition. Increasing (% CaO)/(% Al2O3), (% FetO), and temperature increased the dissolution rate as well as the km provided that the slag composition is not close to its saturation composition by alumina. In order to simulate the dissolution of alumina inclusion in the RH slag, which cannot be measured by a confocal scanning laser microscopy (CSLM) at present due to the opaqueness of the slag, the modified invariant interface approximation was employed. Along with the obtained km, the viscosity of slag, and a reference experiment using the CSLM, the dissolution kinetics of alumina inclusion in the FetO-containing RH slag was predicted. The time required for the dissolution of alumina inclusions from liquid steel to RH slag was discussed. 相似文献
69.
70.
Kiseop Yoon Doo Young Gwak Yeolwan Seong Seunghoon Lee Jiyoung Hong Soogab Lee 《Journal of Mechanical Science and Technology》2016,30(10):4503-4509
Wind turbine noise is considered to be easily detectable and highly annoying at relatively lower sound levels than other noise sources. Many previous studies attributed this characteristic to amplitude modulation. However, it is unclear whether amplitude modulation is the main cause of these properties of wind turbine noise. Therefore, the aim of the current study is to identify the relationship between amplitude modulation and these two properties of wind turbine noise. For this investigation, two experiments were conducted. In the first experiment, 12 participants determined the detection thresholds of six target sounds in the presence of background noise. In the second experiment, 12 participants matched the loudness of modified sounds without amplitude modulation to that of target sounds with amplitude modulation. The results showed that the detection threshold was lowered as the modulation depth increased; additionally, sounds with amplitude modulation had higher subjective loudness than those without amplitude modulation. 相似文献