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.     

Evanescently coupled photodiodes integrating a double-stage taper for 40-Gb/s applications-compared performance with side-illuminated photodiodes

The design, fabrication, and performance of double-stage taper photodiodes (DSTPs) are reported. The objective of this work is to develop devices compatible with 40-Gb/s applications. Such devices require high efficiency, ultrawide band, high optical power handling capability, and compatibility with low-cost module fabrication. The integration of mode size converters improves both the coupling efficiency and the responsivity with a large fiber mode diameter. Responsivity of 0.6 A/W and 0.45 A/W are achieved with a 6-/spl mu/m fiber mode diameter and cleaved fiber, respectively, providing relaxed alignment tolerances (/spl plusmn/1.6 /spl mu/m and /spl plusmn/2 /spl mu/m, respectively), compatible with cost-effective packaging techniques. DSTPs also offer a wide bandwidth greater than 40 GHz and transverse-electric/transverse-magnetic polarization dependence lower than 0.2 dB. Furthermore, a DSTP saturation current as high as 11 mA results in optical power handling greater than +10 dBm and a high output voltage of 0.8 V. These capabilities allow the photodiode to drive the decision circuit without the need of a broad-band electrical amplifier. The DSTP devices presented here demonstrate higher responsivities with large fiber mode diameter and better optical power handling capabilities and are compared with classical side-illuminated photodiodes.     

RF microelectronics for W-CDMA mobile communication systems

Third generation (3G) mobile communication systems are now just starting to be introduced. With a maximum data rate of 2 Mbit/s they will make wireless access to broadband data services like the Internet or video applications feasible. Most of the different physical layer technologies summarised under the acronym 3G are based on wideband-CDMA (W-CDMA), in contrast to existing second generation systems, which mostly use TDMA and FDMA. This has severe consequences for the design of the transceiver front-ends. During standardisation these were assumed to have an adequate RF performance yet they still present a performance bottleneck for the system. Starting with a short introduction to UMTS (Universal Mobile Telecommunications System)-the 3G standard to be deployed in Europe and already operating in Japan-this paper describes by way of example some of the test cases specified for UMTS and their impact on the analogue front-end. It is shown that accurate simulation of all the analogue and digital signal processing is necessary in order to predict the RF performance needed of today's commercial RFICs. The paper then presents and reviews some actual design examples. Finally, possible technologies and techniques for application in future mobile terminals are discussed     

LiNbO3 optical waveguides formed in a new proton source

Proton-exchanged planar waveguides have been fabricated on Z-cut and X-cut lithium niobate crystals by using a new proton source formed by a mixture of benzoic and adipic acids. Waveguide index profiles and optical characteristics have been obtained at different values of the adipic-benzoic acid concentration ratio. The samples have been structurally characterized by Raman and infrared (IR) absorption spectroscopy and double-crystal X-ray diffraction. Good quality samples have been fabricated by using 30 mol% ratio dilution, showing very low scattering levels (<0.1 dB/cm), relatively high electrooptic coefficient (r₃₃=0.88 pm/V), and low relative percentage of interstitial protons (26%). The main factor limiting the waveguide optical properties is the substitutional-interstitial proton ratio, which can be easily controlled to produce good quality waveguides. A demonstration of the repeatability of the exchange process in the acid mixture is also provided     

The measurement of solar array discharges in a simulated spaceenvironment

A spacecraft in a plasma builds up charge on all the dielectric surfaces and interfaces. Once the net charge exceeds the dielectric breakdown of the material, a discharge occurs. One of the more susceptible pieces of equipment is the antenna/receiver system. The radiated E-field may be strong enough to create an ambiguous signal which may be misinterpreted by the system electronics and cause a system malfunction. A technique is developed to monitor the radiated E-field of materials discharging in an electron environment, using vacuum chambers for measuring the material discharges which are made of highly reflective materials. These chambers affect the radiated E-field due to multiple reflections from the walls. The technique developed defines a method for correcting the effects caused by the measurement facilities. The methodology is: monitor the radiated E-field with a broadband dipole antenna, and digitize the radiated signal as a function of time. Determine the frequency response of the radiated E-field using an FFT algorithm. Measure the transmission and reflection characteristics of the two-port network inside the measurement chamber, and determine the impedance network from the measured E-parameters across the frequency band of interest. Transform the measured E-field frequency response through the impedance network to obtain the frequency response of the actual radiated discharge current. Find the inverse FFT of this response to obtain the actual radiated discharge current response. This technique aids in the prediction of the E-field coupling into receive antennas on-board actual satellites     

Crosstalk between microstrip transmission lines

Methods for prediction of crosstalk between microstrip transmission lines are reviewed and simplified for the weak-coupling case. Classical coupled transmission line theory is used for uniform lines, and potential and induced EMF methods are used for crosstalk between nonuniform lines. It is shown that the potential method is equivalent to classical coupled transmission line theory for the case of uniform lines. An experiment was performed for uniform coupled microstrip lines for frequencies from 50 MHz to 5 GHz, and good agreement between theory and measurement was obtained for both near- and far-end crosstalk     

Effect of pulse time gate on CsI(T1) light output

The mass and charge identification of secondary particles with Z < 4 by a large CsI(T1) scintillation detector is performed using pulse shape analysis and time-of-flight methods. The dependence of the light output on E, A and Z is studied in the energy range of 1–20 MeV/A and special attention is paid to the integration time of the photomultiplier anode signal. It is found that the behaviour of the calibration curves strongly depends on the choice of the integration time interval.     

A base-band NDS electrode configuration for HACT devices

Heterostructure Acoustic Charge Transport (HACT) devices have been fabricated with a new nondestructive sense (NDS) electrode structure that provides for the recovery of base-band signals without the use of an integrating capacitor. This electrode structure provides an output signal comprising an RF carrier at the SAW frequency, amplitude modulated by the sampled input signal which has been delayed by a period proportional to the output electrodes distance from the input diode. The output of the NDS electrode structure is subsequently demodulated to provide the base-band signal     

Purification of the cardiac sarcoplasmic reticulum membrane protein phospholamban from recombinant Escherichia coli

Phospholamban (PLN) was expressed in Escherichia coli as a protein fusion with glutathione S-transferase (GST). GST-PLN was mostly present in the insoluble protein fraction and accounted for approximately 50% of total insoluble protein. Attempts to suppress inclusion body formation or to use GST as an affinity-purification tag failed. A successful purification method is based on preparative SDS/PAGE and electrodialysis. From 1 g cells we typically purified 13.5 mg fusion protein with a PLN content of 2.8 mg. We genetically inserted an enterokinase (EK) protease site just in front of the PLN sequence and demonstrated the proteolytical liberation of PLN from the carrier protein. The approach described represents a substantial advancement in PLN expression and purification.