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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.
J Hibbert DC Howlett KL Greenwood LM MacDonald AJ Saunders 《Canadian Metallurgical Quarterly》1997,70(839):1191-1194
Renal vein thrombosis (RVT) is the most frequently occurring vascular condition in the new-born kidney. The predisposing factors include dehydration, sepsis, birth asphyxia, maternal diabetes, polycythaemia and the presence of an indwelling umbilical venous catheter. (RVT) may present clinically with a flank mass, haematuria, hypertension or renal failure. Many imaging modalities have been employed, but ultrasound is the technique most commonly used in the evaluation of neonates with suspected RVT. Thrombosis commences in the small renal veins and subsequently propagates via larger interlobar veins to the main renal vein and inferior vena cava (IVC). The ultrasound appearances depend upon the stage at which the examination is performed and extent of the thrombus. Initially, the interlobular and interlobar thrombus appears as highly echogenic streaks. These streaks commence in a peripheral, focal segment of the involved kidney and only persist for a few days. In the first week the affected kidney swells and becomes echogenic with prominent echopoor medullary pyramids. Later, the swelling increases and the kidney becomes heterogenous with loss of corticomedullary differentiation. Grey scale ultrasound readily demonstrates thrombus within the renal vein and IVC. Adrenal haemorrhage is a recognized association and may be identified ultrasonically. Colour Doppler scanning provides additional information. In the early stages of RVT, colour Doppler may demonstrate absent intrarenal and renal venous flow. Ultimately, the kidney may recover, show focal scarring or become atrophic. Thus, ultrasound provides an accessible and reliable tool in the assessment of suspected neonatal RVT. 相似文献
3.
Field surveys of a series of conjugated diunsaturated straight-chain primary alcohols, acetates, and aldehydes (dienes), including the 3,5-dode-cadienyl, 8,10-dodecadienyl, 3,5-tetradecadienyl, 8,10-tetradecadienyl, 9,11-tetradecadienyl, and 10,12-tetradecadienyl primary alcohols, acetates, and most aldehydes, and the related monounsaturated straight-chain primary alcohols, acetates, and aldehydes (monoenes), including the 3-dodecadienyl alcohol and acetates, attracted the following species from the title families. Diene attractants have been demonstrated for at least onePhyllonorycter sp.,Chionodes lugubrella (Fabr.),Leptostales ferruminaria (Zell.),Drepana bilineata (Pack.),Pyrausta fodinalis (Led.),Notocelia purpurissatana Heinr.,Phaneta alterana Heinr. Monoene attractants were demonstrated forHedya separatana (Kft.),Cydia fletcherana (Kft.),Barbara mappana Free.,Ancylis burgessiana (Zell.),Ancylis nubeculana Clem.,Evippe prunifoliella Cham.,Phlyctaenia coronata tertialis (Gn.), aChionodes sp., a Gelechiidae sp., and an unidentifiedPhyllonorycter sp. Replicated field experiments showed attraction-inhibition relationships for most species. Electroantennagram data are presented forLeptostales ferruminaria andDrepana bilineata. 相似文献
4.
5.
The effect of secondary scattering that is produced by the induced current in an infinitely long, finitely conducting wire over a plane, finitely conducting earth from an incident electromagnetic pulse is investigated. This is accomplished by finding the field of a Hertzian dipole over the earth and identifying the part that is due to secondary scattering. Frequency-domain results for the overall induced current require that certain infinite integrals be numerically evaluated. Fourier inversion to the time domain in turn requires the numerical evaluation of another infinite integral. When the results are compared to those obtained when secondary scattering is ignored, it is found that secondary scattering slightly increases the current for the case of broadside incidence and reduces it for the case of grazing incidence by as much as two orders of magnitude. Peak currents are much smaller than previously thought. These general results hold for all of the earth parameters that were used in the study 相似文献
6.
7.
Intelligent Monitoring for Adaptation in Grid Applications 总被引:1,自引:0,他引:1
Reed D.A. Mendes C.L. 《Proceedings of the IEEE. Institute of Electrical and Electronics Engineers》2005,93(2):426-435
Grid applications access distributed, and often shared, resources. One consequence of this resource sharing is that measured application performance can vary widely and in unexpected ways. Determining the causes of poor performance, due to either anomalous application behavior or contention for shared resource use, and adapting to changing circumstances are critical to creation of robust Grid applications. Performance contracts and real-time adaptive control are two mechanisms to realize soft performance guarantees in Grid environments. Performance contracts formalize the relationship between application performance needs and resource capabilities. During execution, contract monitors use performance data to verify that expectations are met. When the contracted specifications are not satisfied, the system can choose to either adapt the application to available resources or reschedule the application on a new set of resources that can satisfy the original contract specifications. We describe an infrastructure for Grid application contract development and monitoring. This infrastructure, based on the Autopilot toolkit, provides flexible and scalable tools to assess both application and system behavior. 相似文献
8.
The technique of high pressure is utilized to study the carrier transport behaviour in doped and undoped bulk amorphous (GeSe3·5)100−x
Bi
x
(x=0, 2, 4, 10) down to liquid nitrogen temperature to observe impurity induced modifications in amorphous semiconductors. It
is observed that pressure induced effects in lightly doped (2 at % Bi) and heavily doped (x=4, 10) semiconductors are markedly different. Results are discussed in view of the incorporation behaviour of the bismuth
impurity. 相似文献
9.
Undergraduate software engineering education is now well established in many countries, and many of these degree programs have received formal accreditation by the relevant country's professional body for computing. SE 2004 represents an enormous effort by numerous individuals across the discipline. Its quality has been clearly recognized by the sponsoring organizations. The developmental team confidently looks forward to the volume's use and to your participation in future evaluations and in the next phase of development. The volume provides usable results for those in emerging economies who wish to enter the software engineering community, and we know that individual project members and the participating national bodies are ready to assist. 相似文献
10.
T. Connolley M. J. Starink P. A. S. Reed 《Metallurgical and Materials Transactions A》2004,35(3):771-783
Notches were machined in specimens of INCONEL 718 by a broaching process, where differing broaching runs led to differing
extents of subsurface deformation and surface roughness. Fatigue tests were carried out at 600 °C with a trapezoidal loading
waveform at 0.25 Hz. The broaching process that led to the more severe subsurface deformation (but lower surface roughness)
showed the worst fatigue performance. Analysis of total strain amplitude in the notch root with the aid of an elastoplastic
finite-element (FE) model showed that the work hardening related to the subsurface deformation caused by the different broaching
can account for the difference in fatigue lives. Differences in initiation and growth behavior were seen for the two broached
finishes as well as for broached and subsequently polished samples. These differences are discussed in terms of a change in
crack growth initiation and growth mechanisms due to the presence of the work-hardened layer. 相似文献