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At least 19 records

The Fraternal Twins of Quartet O4(+)

Eleven stationary geometries of quartet O4(+) have been studied by ab initio methods. The geometries were optimized at the Complete Active Space Self-Consistent Field (CASSCF) level of theory and the energies were calculated by the multiconfigurational second order pertubation method (CASPT2), using Double-Zeta Plus polarization (DZP), Triple-Zeta Plus Double Polarization (TZ2P), average Atomic Natural Orbital (ANO) (5s4p2d) and average ANO (6s5p3d2f) basis sets. The rectangular and trans-planar structures are found to be the most stable, with an energy barrier to conversion between the two at the threshold of dissociation. Both have a delocalized hole and are stable relative to separated 02 and 02(+)by 11.0 and 11.5 kcal/mol for the rectangular and the 2 trans-planar structure, respectively, compared with the experimentally deduced energy in the range of 9.2 to 10.8 kcal/mol. The adiabatic ionization potentials of 04 and 02 are computed to be 11.67 and 12.21 eV, while experimental values are 11.66 and 12.07 eV, respectively. The vibrational frequencies have been computed for all degrees of freedom at the CASSCF level of theory. Symmetry breaking is found to be a particular problem in the computation of the antisymmetric stretch frequency for the delocalized structures at the CASSCF level of theory. Attempts to rectify these problems using the restricted active space self-consistent field (RASSCF) method leads to additional difficulties, but further analysis yields insight into the symmetry breaking and problems with earlier calculations. Finally, a nonorthogonal configuration interaction (CI) calculation based on the interaction of localized CASSCF wave functions using the Complete Active Space State Interation (CASSI) method leads to a balanced treatment of the antisymmetric stretch which is free from symmetry breaking. The study explains the four most prominent absorption frequencies observed in the partially unassigned IR spectrum of O4(+) isolated in solid neon as the antisymmetric OO stretch, and the combination band of the symmetric and antisymmetric 00 stretch of both the rectangular and trans-planar structures.

Lindh, Roland↗

The Fast Alternative Cryogenic Experiment Testbed

One of the challenges in the area of cryogenics for space exploration in the next millennium is providing the capability for inexpensive, frequent, access to space. Faced with this challenge during the International Space Station (ISS) build era, when other Space Shuttle manifesting opportunities are unavailable, a "proof of concept" cryostat has been developed to demonstrate the ability to accommodate low temperature science investigations within the constraints of the Hitchhiker siderail carrier. The Hitchhiker siderail carrier is available on a "mass available" basis during the ISS build era. In fact, several hitchhiker payloads flew with the deployment of the Unity module. Hitchhiker siderail carrier payloads have historically flown an average of about four times a year. A hybrid Solid Neon - Superfluid Helium cryostat has been developed with Janis Research Company to accommodate instruments of 16.5 cm diameter and 30 cm. length. This hybrid approach was taken in part to provide adequate on-orbit lifetime for instruments with high (conducted) heat loads from the instrumentation wiring. Mass, volume, lifetime and the launch hold scenario were all design drivers. In addition, with Ball Aerospace and Technologies Corporation, a multichannel VME architecture Germanium Resistance Thermometer (GRT) readout and heater control servo system has been developed. In a flight system, the cryostat and electronics payloads would be umbilically attached in a paired Hitchhiker siderail mount, and permit on-orbit command and telemetry capability. The results of performance tests of both the cryostat, and a helium sample instrument will be presented. The instrument features a self contained, miniaturized, nano-Kelvin resolution High Resolution Thermometer (HRT). This high level of thermal resolution is achieved through the utilization of a dc Superconducting Quantum Interference Device (SQUID). Although developed for the Low Temperature Microgravity Fundamental Physics investigator community, many design features are applicable in fields such as infrared and x-ray astronomy.

Nash, Alfred↗

IXO-XMS LVSID Anti-Coincidence Detector

This document describes a high-TRL backup implementation of the anti-coincidence detector for the IXO/XMS instrument. The backup detector, hereafter referred to as the low-voltage silicon ionization detector (LVSID), has been successfully flown on Astro-E2 (Suzaku)/XRS and is currently being implemented, without significant changes, on the Astro-H/SXS instrument. The LVSID anti-coincidence detector on Astro-E2/XRS operated successfully for almost 2 years, and was not affected by the loss of liquid helium in that instrument. The LVSID continues to operate after almost 5 years on-orbit (LEO, 550 km) but with slightly increased noise following the expected depletion of solid Neon after 22 months. The noise of the device is increased after the loss of sNe due to thermally induced bias and readout noise. No radiation damage, or off-nominal affects have been observed with the LVSID on-orbit during the Astro-E2/XRS program. A detector die from the same fabrication run will be used on the Astro-H/SXS mission. The LVSID technology and cryogenic JFET readout system is thus TRL 9. The technology is described in detail in section 2. The IXO/XMS "backup-up" anti-coincidence detector is a small array of LVSID detectors that are almost identical to those employed for Astro -E2/XRS as described in this document. The readout system is identical and, infact would use the same design as the Astro -E2/XRS JFET amplifier module (19 channels) essentially without changes except for its mechanical mount. The changes required for the IXO/XMS LVSID array are limited to the mounting of the LVSID detectors, and the mechanical mounting of the JFET amplifier sub-assembly. There is no technical development needed for the IXO/XMS implementation and the technology is ready for detailed design-work leading to PDR. The TRL level is thus at least 6, and possibly higher. Characteristics of an IXO/XMS LVSID anti-co detector are given in Table 1 and described in detail in section 3.

Porter, Scott F.↗

Compact, Highly Stable Ion Atomic Clock

A mercury-ion clock now at the breadboard stage of development (see figure) has a stability comparable to that of a hydrogen-maser clock: In tests, the clock exhibited an Allan deviation of between 2 x 10(exp -13) and 3 x 10(exp -13) at a measurement time of 1 second, averaging to about 10(exp -15) at 1 day. However, the clock occupies a volume of only about 2 liters . about a hundredth of the volume of a hydrogen-maser clock. The ion-handling parts of the apparatus are housed in a sealed vacuum tube, wherein only a getter pump is used to maintain the vacuum. Hence, this apparatus is a prototype of a generation of small, potentially portable high-precision clocks for diverse ground- and space-based navigation and radio science applications. Furthermore, this new ion-clock technology is about 100 times more stable and precise than the rubidium atomic clocks currently in use in the NAV STAR GPS Earth-orbiting satellites. In this clock, mercury ions are shuttled between a quadrupole and a 16-pole linear radio-frequency trap. In the quadrupole trap, the ions are tightly confined and optical state selection from a Hg-202 radio-frequency-discharge ultraviolet lamp is carried out. In the 16-pole trap, the ions are more loosely confined and atomic transitions resonant at frequency of about 40.507 GHz are interrogated by use of a microwave beam at that frequency. The trapping of ions effectively eliminates the frequency pulling caused by wall collisions inherent to gas-cell clocks. The shuttling of the ions between the two traps enables separation of the state-selection process from the clock microwave- resonance process, so that each of these processes can be optimized independently of the other. The basic ion-shuttling, two-trap scheme as described thus far is not new: it has been the basis of designs of prior larger clocks. The novelty of the present development lies in major redesigns of its physics package (the ion traps and the vacuum and optical subsystems) to effect the desired reduction of size to a volume of no more than a couple of liters. The redesign effort has included selection of materials for the vacuum tube, ion trap, and ultraviolet windows that withstand bakeout at a temperature of approx.450 C in preparation for sealing the tube to contain the vacuum. This part of the redesign effort follows the approach taken in the development of such other vacuum-tube electronic components as flight traveling- wave-tube amplifiers having operational and shelf lives as long as 15 years. The redesign effort has also included a thorough study of residual-gas-induced shifts of the ion-clock frequency and a study of alternative gases as candidates for use as a buffer gas within the sealed tube. It has been found that neon is more suitable than is helium, which has been traditionally used for this purpose, in that the pressure-induced frequency pulling by neon is between a third and a half of that of helium. In addition, because neon diffuses through solids much more slowly than does helium, the loss of neon by diffusion over the operational lifetime is expected to be negligible.

Prestage, John↗

Neon as a Buffer Gas for a Mercury-Ion Clock

A developmental miniature mercury-ion clock has stability comparable to that of a hydrogen-maser clock. The ion-handling components are housed in a sealed vacuum tube, wherein a getter pump is used to maintain the partial vacuum, and the evacuated tube is backfilled with mercury vapor in a buffer gas. Neon was determined to be the best choice for the buffer gas: The pressure-induced frequency pulling by neon was found to be only about two-fifths of that of helium. Furthermore, because neon diffuses through solids much more slowly than does helium, the operational lifetime of a tube backfilled with neon could be considerably longer than that of a tube backfilled with helium.

Prestage, John↗

Cryogenic cooling for spacecraft sensors, instruments, and experiments

Several disciplines requiring in-space cryogenic cooling are identified including high-energy, gamma-ray, and IR astronomy, relativity missions, and superconducting devices. Radiant coolers are limited in terms of temperature ranges and cooling loads. Other spacecraft cryogenic systems include stored solid cryogenic coolers using materials such as hydrogen, neon, argon, and methane. Two such cooler designs are described including one for the Nimbus F limb radiance inversion radiometer and one for the Nimbus G limb infrared monitoring of the atmosphere. Suggestions for increasing the performance of solid cryogenic coolers are made, such as a multimission cooler, a mechanical refrigerator, Stirling-cycle refrigerators, and Vuilleumier mechanized coolers. Techniques for obtaining cryogenic cooling in the milli-K range are identified as dilution refrigeration and adiabatic demagnetization.

Sherman, A.↗

Distribution of gases within Apollo 15 samples - Implications for the incorporation of gases within solid bodies of the solar system.

The distribution of helium, neon, and argon isotopes within Apollo 15 samples results primarily from fractionated solar wind gases, accompanied by small quantities of cosmogenic gases. No unequivocal primordial lunar gases have been detected within various mineral, rock, or glass fragments. A vug from 15555 contains solar wind gases that have abundance ratios similar to those found in the Apollo 12 aluminum foil experiments. A comparison of these Apollo 15 results with previous laser probe mass spectrometric measurements from the gas-rich Kapoeta and Fayetteville meteorites, as well as with analyses of the Apollo 12 and 14 samples, indicates that the mechanism of solar wind implantation, followed by subsequent fractionation of the gases by impact brecciation and heating, was primarily responsible for the incorporation of the original gas phase within solid bodies of the solar system.

Megrue, G. H.↗

Paramagnetic Attraction of Impurity-Helium Solids

Impurity-helium solids are formed when a mixture of impurity and helium gases enters a volume of superfluid helium. Typical choices of impurity gas are hydrogen deuteride, deuterium, nitrogen, neon and argon, or a mixture of these. These solids consist of individual impurity atoms and molecules as well as clusters of impurity atoms and molecules covered with layers of solidified helium. The clusters have an imperfect crystalline structure and diameters ranging up to 90 angstroms, depending somewhat on the choice of impurity. Immediately following formation the clusters aggregate into loosely connected porous solids that are submerged in and completely permeated by the liquid helium. Im-He solids are extremely effective at stabilizing high concentrations of free radicals, which can be introduced by applying a high power RF dis- charge to the impurity gas mixture just before it strikes the super fluid helium. Average concentrations of 10(exp 19) nitrogen atoms/cc and 5 x 10(exp 18) deuterium atoms/cc can be achieved this way. It shows a typical sample formed from a mixture of atomic and molecular hydrogen and deuterium. It shows typical sample formed from atomic and molecular nitrogen. Much of the stability of Im-He solids is attributed to their very large surface area to volume ratio and their permeation by super fluid helium. Heat resulting from a chance meeting and recombination of free radicals is quickly dissipated by the super fluid helium instead of thermally promoting the diffusion of other nearby free radicals.

Bernard, E. P.↗

Electronic absorption spectroscopy of matrix-isolated polycyclic aromatic hydrocarbon cations. I - The naphthalene cation (C10H8/+/)

The ultraviolet, visible, and near-infrared absorption spectra of naphthalene (C10H8) and its radical ion (C10H8/+/), formed by vacuum ultraviolet irradiation, were measured in argon and neon matrices at 4.2 K. The associated vibronic band systems and their spectroscopic assignments are discussed together with the physical and chemical conditions governing ion production in the solid phase. The absorption coefficients were calculated for the ion and found lower than previous values, presumably due to the low polarizability of the neon matrix.

Salama, F.↗

Ortho- and paratritium.

Heat conductivity cell, cooled with liquid neon, is used to measure conversion of ortho-paratritium in the homogeneous gas and solid phases

PHASE CHANGE↗

Detection of the isotopes of heavy cosmic ray nuclei

A counter telescope designed to detect and resolve the isotopic composition of cosmic ray nuclei heavier than neon is being prepared. The telescope consists of a rather conventional charge measuring array using two scintillator elements and two solid Cerenkov radiators of differing refractive index. The mass measurement is obtained by combining the velocity information from one or both of the Cerenkov radiators operating near their threshold with residual range measured in a block of nuclear emulsion. Path length corrections and particle location in the emulsions is provided by a spark chamber fired in coincidence with potentially suitable particles. The telescope has a geometry factor of 530 sq cm sr roughly. It should be able to resolve the isotopes of iron over the energy range of 300 to 720 Mev/n and those of neon over 300 to 400 MeV/n. The expected response and characteristics of the telescope are described in detail and the sensitivity to rare isotopes discussed.

Gilman, C. M.↗