Reactive control and reasoning assistance for scientific laboratory instruments

Scientific laboratory instruments that are involved in chemical or physical sample identification frequently require substantial human preparation, attention, and interactive control during their operation. Successful real-time analysis of incoming data that supports such interactive control requires: (1) a clear recognition of variance of the data from expected results; and (2) rapid diagnosis of possible alternative hypotheses which might explain the variance. Such analysis then aids in decisions about modifying the experiment protocol, as well as being a goal itself. This paper reports on a collaborative project at the NASA Ames Research Center between artificial intelligence researchers and planetary microbial ecologists. Our team is currently engaged in developing software that autonomously controls science laboratory instruments and that provides data analysis of the real-time data in support of dynamic refinement of the experiment control. the first two instruments to which this technology has been applied are a differential thermal analyzer (DTA) and a gas chromatograph (GC). coupled together, they form a new geochemicstry and microbial analysis tool that is capable of rapid identification of the organiz and mineralogical constituents in soils. The thermal decomposition of the minerals and organics, and the attendance release of evolved gases, provides data about the structural and molecular chemistry of the soil samples

Kinetics and mechanism of the reaction between atomic chlorine and dimethyl selenide; comparison with the reaction between atomic chlorine and dimethyl sulfide

Dimethyl selenide is the most abundant gaseous selenium species in marine environments. In this work, the value of the rate coefficient for the gas-phase reaction between dimethyl selenide and Cl atoms has been determined for the first time. The value of the second-order rate coefficient obtained was (5.0±1.4)×10–10 cm3 molecule–1 s–1. The very fast nature of the reaction means that, when estimating the lifetime of dimethyl selenide in the atmosphere, loss due to reaction with Cl atoms should be considered along with loss due to reaction with O3 and with OH and NO3 radicals. Analysis of the available kinetic data suggests that at 760 Torr the dominant reaction pathway for the reaction of Cl atoms with dimethyl selenide will be the addition of Cl to the Se atom forming an adduct of the type CH3Se(Cl)CH3. Theoretical calculations, at the B3LYP/6-311++G(2df,p)//B3LYP/6-311++G(d,p) level of theory, show that at 298 K the value of rH for the formation of the adduct is –111.4 kJ mol–1. This value may be compared to –97.0 kJ mol–1, the value calculated for rH for the formation of the analogous sulfur adduct, CH3S(Cl)CH3, following the reaction between Cl atoms and dimethyl sulfide. Variational RRKM theory was used to predict the thermal decomposition rates of the two adducts back to starting materials. The estimated rate constant for the decomposition of the selenium adduct to the reactants is 5×10–5 s–1, compared to 0.02 s–1 in the case of the sulfur adduct. However, our calculations suggest that the CH3Se(Cl)CH3 adduct, which is initially formed highly excited, will not be stabilised under atmospheric conditions, but rather will decompose to yield CH3SeCl and CH3, a process that is calculated to be exothermic with respect to the initial reactants by 5.8 kJ mol–1. The formation of CH3SCl and CH3 from the sulfur adduct, on the other hand, is endothermic by 20.8 kJ mol–1 with respect to the initial reactants, and is thus not expected to occur

COMMUNITY SUPPORTED AGRICULTURE: FILLING A NICHE MARKET

In less than a decade, the number of Community Supported Agriculture (CSA) projects has grown to more than 400. Our research suggests that CSA shareholders' social objectives dominate their decision to join. Standard economic objectives and "club-related" objectives contribute to the decision, but are clearly secondary. Our research also suggests the CSA movement will continue to grow. Its emphasis on social objectives, its inability to supply food year around, and the ongoing development of size-neutral organic technologies, however, will probably keep it from becoming a major market channel in the next century.Agribusiness,

Charge-ice dynamics in the negative thermal expansion material Cd(CN)2_2

We use variable-temperature (150--300\,K) single-crystal X-ray diffraction to re-examine the interplay between structure and dynamics in the ambient phase of the isotropic negative thermal expansion (NTE) material Cd(CN)$_2$. We find strong experimental evidence for the existence of low-energy vibrational modes that involve off-centering of Cd$^{2+}$ ions. These modes have the effect of increasing network packing density---suggesting a mechanism for NTE that is different to the generally-accepted picture of correlated Cd(C/N)$_4$ rotation modes. Strong local correlations in the displacement directions of neighbouring cadmium centres are evident in the existence of highly-structured diffuse scattering in the experimental X-ray diffraction patterns. Monte Carlo simulations suggest these patterns might be interpreted in terms of a basic set of `ice-rules' that establish a mapping between the dynamics of Cd(CN)$_2$ and proton ordering in cubic ice VII.Comment: 5 pages, 5 figures, submitted to PR

Nondestructive Evaluation Methodologies Developed for Certifying Composite Flywheels

Manufacturing readiness of composite rotors and certification of flywheels depend in part on the maturity of nondestructive evaluation (NDE) technology for process optimization and quality assurance, respectively. At the NASA Glenn Research Center, the capabilities and limitations of x-ray-computed tomography and radiography, as well as advanced ultrasonics were established on NDE ring and rotor standards with electrical discharge machining (EDM) notches and drilled holes. Also, intentionally seeded delamination, tow break, and insert of bagging material were introduced in hydroburst-rings to study the NDE detection capabilities of such anomalies and their effect on the damage tolerance and safe life margins of subscale rings and rotors. Examples of possible occurring flaws or anomalies in composite rings as detected by NDE and validated by destructive metallography are shown. The general NDE approach to ensure the quality of composite rotors and to help in the certification of flywheels is briefly outlined