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排序方式: 共有760条查询结果,搜索用时 9 毫秒
1.
M. Riad Manaa Laurence E. Fried Evan J. Reed 《Journal of Computer-Aided Materials Design》2003,10(2):75-97
In this article, we review recent atomistic computational techniques to study the electronic structure aspects and chemistry
of energetic materials at high-pressure and/or high temperature. While several mechanisms have been proposed for the initial
events of energetic materials at high-pressure, we explore the validity of a proposed shear-induced local metallization via
molecular bond bending in the insensitive explosive TATB. We study the effect of high-stress (both uniform and uniaxial) on
the electronic energy band-gap and the first chemical event of a prototypical energetic material, that of nitromethane. We
also determine chemical reactions rate laws and decomposition mechanisms from a quantum-based molecular dynamics simulation
of HMX, a widely used explosive material, at conditions of high density and temperature similar to that encounter under detonation.
Finally, we review a new multi-scale computational tool recently developed to model the shock-induced chemistry of energetic
materials at the atomistic level, and report its applicability to shocked solid nitromethane.
This revised version was published online in June 2006 with corrections to the Cover Date. 相似文献
2.
Su M.F. Reda Taha M.M. Christodoulou C.G. El Kady I. 《Photonics Technology Letters, IEEE》2008,20(10):761-763
Processing methods used in photonics and nanotechnology possess many limitations restricting their application areas such as high cost, inability to produce fine details, problems with scalability, and long processing time. Proximity field nanopatterning is a lithography method which surpasses these limitations. By using interference patterns produced by a two-dimensional phase mask, the technique is able to generate a submicron detailed exposure on a millimeter-size slab of light sensitive photopolymer, which is then developed like a photographic plate to reveal three-dimensional interference patterns from the phase mask. While it is possible to use simulations to obtain the interference patterns produced by a phase mask, realizing the mask dimensions necessary for producing a desired interference pattern is analytically challenging due to the intricacies of light interactions involved in producing the final interference pattern. An alternative method is to iteratively optimize the phase mask until the interference patterns obtained converge to the desired pattern. However, depending on the optimization technique used, one either risks a significant probability of failure or requires a prohibitive number of iterations. We argue that an optimization technique that is to take advantage of the physics of the problem using machine learning methods (here fuzzy learning) can lead to competent mask design. This technique is described in this letter. 相似文献
3.
Exchange and oxidation of C16O were investigated at 450°C on 18O-predosed Rh and Pt catalysts supported on A12O3, CeO2 and CeO2-Al2O3. In all cases, a rapid exchange of C16O with the surface can be observed. CO oxidation leads to C16O2, C16O18O and C18O2. Significant formation of C16O2 is due to the relatively high 16O coverage in reaction resulting from the C16O exchange and from an exchange between O surface species and 16O internal atoms. Hydrogen is also formed via a water-gas shift reaction (CO + surface OH) in higher proportion on CeO2-containing catalysts than on A12O3. Chlorine inhibits all the reactions (exchange, oxidation and WGS) and particularly the internal exchange. 相似文献
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6.
Nabaweya A. Ibrahim Souad El-Gengaihi H. Motawe S. A. Riad 《European Food Research and Technology》2007,224(4):483-488
Five labdane diterpenoids, austroinulin, iso-austroinulin, sterebin E, sterebin E acetate, and sterebin A acetate, along with hydrocarbons, aliphatic alcohols, β-amyrin,
β-sitosterol and stigmasterol were isolated from the chloroform soluble fraction of the methanol extract of Stevia rebaudiana leaves. Chlorogenic and caffeic acids were isolated from the EtOAc fraction. All the isolated compounds were identified using
spectral tools. The chloroform and methanol extracts proved significant anti-inflammatory effect and caused marked inhibition
of carrageenan-induced paw oedema in rats. 相似文献
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The solar cooking process has been investigated to develop safe, simple, portable, and reliable solar cookers. The concept of insulated and vapor-tight pots has been introduced and applied to oven, point-focus and heat-pipe cookers. A new, flat-plate cooker with heat pipes has been developed. It requires no tracking and allows cooking to be done in the shade or indoors. Also, a novel-portable cooker, the Mina Oven, featuring a vapor-tight pot and an integral collector with reflector flaps, has been constructed and tested. A second portable cooker that has been developed is the Arafa Cooker, which comprises a parabolic dish focused at a glazed and insulated receiver. Experiments indicated that all cookers yielded satisfactory performance, with cooking times of 25–45 min per kg of food per m2 of solar collection area while operating from 10 a.m. to 4 p.m. 相似文献
9.
PtRh catalysts were prepared by coimpregnation, with chlorine-free precursors of a -alumina. They were sintered at 973 K under a continuous flow of O2 (1% in Ar or air) or of a flow of Ar into which pulses of O2 were injected periodically. Under the latter conditions the sintering was significantly accelerated, particularly for a certain value of the period of O2 pulses. 相似文献
10.
The proliferation of digital media has led to a huge interest in classifying and indexing media objects for generic search and usage. In particular, we are witnessing a colossal growth in digital image repositories that are difficult to navigate using free-text search mechanisms, which often return inaccurate matches as they in principle rely on statistical analysis of query keyword recurrence in the image annotation or surrounding text. In this paper we present a semantically-enabled image annotation and retrieval engine that is designed to satisfy the requirements of the commercial image collections market in terms of both accuracy and efficiency of the retrieval process. Our search engine relies on methodically structured ontologies for image annotation, thus allowing for more intelligent reasoning about the image content and subsequently obtaining a more accurate set of results and a richer set of alternatives matchmaking the original query. We also show how our well-analysed and designed domain ontology contributes to the implicit expansion of user queries as well as the exploitation of lexical databases for explicit semantic-based query expansion. 相似文献