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The electronic band structure of ZrO2 is calculated for the fluorite structure using the self-consistent augmented-plane-wave method in the muffin-tin approximation. The crystal charge density is then site decomposed by fitting Slater orbitals to the wave functions in the muffin tins. The resultant charge densities for Zr4+ and O2− are then used in the Gordon-Kim method to derive pair potentials, from which a number of structural, elastic, and thermodynamic properties are calculated and compared with experimental results and similar calculations for MgO.  相似文献   
997.
Formation and disappearance of closed pores in silica gel during sintering were experimentally detected using a light-scattering technique. The disappearance of closed pores is strongly influenced by the atmosphere in which the gel is sintered.  相似文献   
998.
Some of the factors affecting cloud point determination of palm oleins are described. These are the type of container used, method of stirring, rate of stirring and bath temperature. The repeatability and reproducibility standard deviations of the method are determined from collaborative trials. Recommendations for the test are made to reduce the large variations among laboratories.  相似文献   
999.
Fatty acid esters, high in linoleic acid, were prepared and stored for long-term engine tests. Storage tests with these esters were undertaken to obtain more information on optimal storage requirements and general stability characteristics. Samples were kept at three temperature levels (20 C, 30 C and fluctuating around 50 C) for a 90-day period and were removed at regular intervals for chemical and physical analysis. The influence of air, temperature, light, TBHQ and contact with mild steel was evaluated by comparing the free fatty acid, peroxide, anisidine, ultraviolet absorption, viscosity and induction periods. A statistical model was used to evaluate the data and to reduce the large number of data points to comparable curves. Storage of esters in contact with air, especially at a temperature above 30 C, resulted in significant increases in peroxide, ultraviolet absorption, free fatty acid, viscosity and anisidine values. Exclusion of air retarded oxidation at all temperature levels. A direct relationship between viscosity increases and oxidation parameters was evident. Exposure to light caused a small increase in the oxidation parameters of esters stored at the highest temperature level. Addition of TBHQ prevented oxidation of samples stored under moderate conditions. Under unfavorable storage conditions the anti-oxidant was no longer effective. Mild steel had very little effect on the oxidation parameters. Only the anisidine values of samples stored at the highest temperature level were slightly increased. Methyl esters performed slightly better than ethyl esters during the storage test. The following practical guidelines for storage of fatty acid ester fuels are: (i) airtight containers should be used; (ii) the storage temperature should be <30 C; (iii) mild steel (rust free) containers may be used, and (iv) TBHQ has a beneficial effect on oxidation stability.  相似文献   
1000.
A data acquisition tool which will extract pertinent diagnostic information from radiology reports has been designed and implemented. Pertinent diagnostic information is defined as that clinical data which is used by the HELP medical expert system. The program uses a memory-based semantic parsing technique to 'understand' the text. Moreover, the memory structures and lexicon necessary to perform this action are automatically generated from the diagnostic knowledge base by using a special purpose compiler. The result is a system where data extraction from free text is directed by an expert system whose goal is diagnosis.  相似文献   
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