Explosive chemistry: Simulating the chemistry of energetic materials at extreme conditions

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.     

Forming the optimal union of multiple databases

Many organizations, best illustrated by libraries, have access to hundreds of databases possessing varying degrees of complimentary and overlapping records. While users may receive positive marginal benefits from data duplications, all databases and their services cannot be supported because of resource limitations. This paper attempts to conceptualize the problem of database collection in an environment of multiple databases, with differential content and performance characteristics, diverse users, and limited resources. It defines the database collection problem as a constrained zero-one integer programming problem and solves for the optimal combination or union of databases. Several extensions are shown, where special conditions are imposed on the relationships between databases and/or their availability.     

Predicting oxide stability in high-temperature water vapor

The importance of understanding and predicting the interactions of oxides with water vapor at high temperatures is demonstrated in this article. Methods for observing volatilization phenomena and identifying the chemical formulae for volatile metal hydroxides are discussed. In addition, techniques for obtaining accurate thermodynamic data for gaseous metal hydroxide species are described. Detailed examples of the stability of the principle structural and/or protective oxides chromia (Cr₂O₃), silica (SiO₂), and alumina (Al₂O₃) in high-temperature water vapor are included.     

Amore Address Mapping with Overlapped Rotating Entries

A memory management unit that supports demand paging is implemented with standard logic and fast-access RAM chips, resulting in much faster address translation that that provided by the standard Motorola MC68451 MMU.     

LD泵浦的声光调Q腔内倍频激光器

研制成用ＬＤ泵浦的声光调Ｑ的Ｎｄ：ＹＶＯ４－ＫＴＰ腔内倍频激光器，得到了ＴＥＭ００模、频率高达１００ｋＨｚ的稳定的５３２ｕｍ绿激光脉冲系列输出，阈值泵浦功率为２７ｍＷ；在连续５７０ｍＷ的泵浦功率下，绿激光脉冲的峰值功率达１１００Ｗ，脉宽为４．６ｕｓ；输出功率稳定，在±５℃的工作温度变化下，输出功率变化小于±２％。此种器件可望得到广泛的应用。     

Assessing the usefulness of bibliometric indicators for the humanities and the social and beha vioural sciences: A comparative study

An evaluation was made of the use of bibliometric indicators for five disciplines in the humanities (social history, general linguistics, general literature, Dutch literature, and Dutch language) and three disciplines in the social and behavioural sciences (experimental psychology, anthropology, and public administration) in the Netherlands. Articles in journals were the predominant outlet in all disciplines. Monographs and popularizing articles were more important outlets in softer fields than in harder ones. The enlightenment function of scholarship was especially evident in Dutch literature and language, and public administration. Only some of the humanities disciplines are locally oriented. Although many publications were written in English, only experimental psychology, general linguistics, anthropology, and genrral literature were internationally oriented regarding output media. The impact of departments differed greatly both within and between disciplines. For all disciplines, bibliometric indicators are potentially useful for monitoring international impact, as expert interviews confirmed. Especially in Dutch language, Dutch literature and public administration, ISI-citation data are not very useful for monitoring national impact.     

Usher Syndrome in the Inner Ear: Etiologies and Advances in Gene Therapy

Hearing loss is the most common sensory disorder with ~466 million people worldwide affected, representing about 5% of the population. A substantial portion of hearing loss is genetic. Hearing loss can either be non-syndromic, if hearing loss is the only clinical manifestation, or syndromic, if the hearing loss is accompanied by a collage of other clinical manifestations. Usher syndrome is a syndromic form of genetic hearing loss that is accompanied by impaired vision associated with retinitis pigmentosa and, in many cases, vestibular dysfunction. It is the most common cause of deaf-blindness. Currently cochlear implantation or hearing aids are the only treatments for Usher-related hearing loss. However, gene therapy has shown promise in treating Usher-related retinitis pigmentosa. Here we review how the etiologies of Usher-related hearing loss make it a good candidate for gene therapy and discuss how various forms of gene therapy could be applied to Usher-related hearing loss.     

Microstructure Evolution and Tensile Properties of a Selectively Laser Melted CoNi-Base Superalloy

Metallurgical and Materials Transactions A - A high $$\gamma ^{\prime }$$ volume fraction CoNi-base superalloy with roughly equal amounts of cobalt and nickel was successfully processed through...     

Continuous-time norm-constrained Kalman filtering

This paper considers continuous-time state estimation when part of the state estimate or the entire state estimate is norm-constrained. In the former case continuous-time state estimation is considered by posing a constrained optimization problem. The optimization problem can be broken up into two separate optimization problems, one which solves for the optimal observer gain associated with the unconstrained state estimates, while the other solves for the optimal observer gain associated with the constrained state estimates. The optimal constrained state estimate is found by projecting the time derivative of an unconstrained estimate onto the tangent space associated with the norm constraint. The special case where the entire state estimate is norm-constrained is briefly discussed. The utility of the filtering results developed are highlighted through a spacecraft attitude estimation example. Numerical simulation results are included.     

Molecular analysis of intact preen waxes of Calidris canutus (Aves: Scolopacidae) by gas chromatography/mass spectrometry

The intact preen wax esters of the red knot Calidris canutus were studied with gas chromatography/mass spectrometry (GC/MS) and GC/MS/MS. In this latter technique, transitions from the molecular ion to fragment ions representing the fatty acid moiety of the wax esters were measured, providing additional resolution to the analysis of wax esters. The C₂₁−C₃₂ wax esters are composed of complex mixtures of hundreds of individual isomers. The odd carbon-numbered wax esters are predominantly composed of even carbon-numbered n-alcohols (C₁₄, C₁₆, and C₁₈) esterified predominantly with odd carbon-numbered 2-methyl fatty acids (C₇, C₉, C₁₁, and C₁₃), resulting in relatively simple distributions. The even carbon-numbered wax esters show a far more complex distribution due to a number of factors: (i) Their n-alcohol moieties are not dominated by even carbon-numbered n-alcohol moieties are not dominated by even carbon-numbered n-alcohols esterified with odd carbon-numbered 2-methyl fatty acids, but odd and even carbon-numbered n-alcohols participate in approximately equal amounts; (ii) odd carbon-numbered methyl-branched alcohols participate abundantly in these wax ester clusters; and (iii) with increasing molecular weight, various isomers of the 2,6-, 2,8-, and 2,10-dimethyl branched fatty acids also participate in the even carbon-numbered wax esters. The data demonstrate that there is a clear biosynthetic control on the wax ester composition although the reasons for the complex chemistry of the waxes are not yet understood.