The unified data structure capability in Madcap VI

The data structures which form an integral part of the Madcap VI programming language are described. The initialization (declarationand constructor) expressions and selector expressions of these structures are defined and their implementation using codewords is discussed. Structures, since they can contain references to other structures (including themselves), have the form of directed trees (graphs). Variables of primitive data type (real, complex, etc.) are naturally considered as degenerate graphs, merely single nodes. The possibility for both multiword and fractional-word representation of structures is evident, but the language itself is implementation-independent. Thus a field is simply a substructure. The Madcap VI data structures are compared to data structure concepts in PL/I.This work supported by the United States Atomic Energy Commission.     

The mechanism of the adsorption of alkyl xanthate species on galena

Oxidation of galena produced thiosulphate and sulphate ions at the mineral surface but flotation activity, using isopropyl xanthate as collector, was found to depend on the concentration of thiosulphate ions at the surface. It is proposed that the thiosulphate ion reacts with di-isopropyl dixanthogen formed by oxidation of xanthate ion in solution. It was demonstrated that these species react in homogeneous solution to give xanthate and xanthogen-thiosulphate ions. The proposed surface reaction may account for the formation of a layer of adsorbed xanthate ions and for the surface redox potential being raised to a value where more xanthate ions can be chemisorbed and where dixanthogen is stable.     

Dietary fat composition and tocopherol requirement: IV. Safety of polyunsaturated fats

In a long-term multigeneration study, conducted in our laboratories for 32-years, with occasional longevity and histopathological evaluations included, rats of our own inbred strain (originally of Wistar derivation) were fed semisynthetic diets comprising whole wheat, skim milk powder, and fat in the form of margarine products. The total source of tocopherols was the dietary fat itself. Saturated fatty acid content (S) remained relatively constant at about 20% of the fat and total tocopherol level also remained constant at about 0.12% of the fat. Polyunsaturated fatty acid (P) content, however, progressively increased almost fourfold, from 7.5% to 28.5% and alphatocopherol levels decreased to one-half level, from 0.033% to 0.016% of the fat. Hence, the ratio of polyunsaturated fatty acids to alpha-tocopherol content changed markedly from 227∶1 to 1780∶1, with other factors (relative to fat composition) held constant during the 32-year period of feedings and observations. Fat level in the diet increased over the years from 9.2% to 16.0% or from about 21% to about 33% of the caloric intake. Thus, quality and quantity of the fat in the diet progressively changed, and the impact of these changes was evaluated by comparing biological performances of the successive generations. Growth and reproduction and lactation performances were noted to be regularly satisfactory and comparable from generation to generation throughout the experimental period. Longevity studies conducted on arbitrarily selected generations also provided data showing no deleterious effects associated with a dietary change. Histopathological examinations of tissue revealed minimal myocarditis and no malignant tumors which could be attributed to a dietary factor. No vitamin E deficiencies were observed. Even the in vitro peroxide hemolysis values for the red blood cells of the animals, fed the diets containing the higher levels of polyunsaturated fatty acids, were low, indicating that the dietary fats provided sufficient absorbable tocopherol to protect the potentially oxidizable unsaturated fatty acids in the erythrocyte membrane. Biochemical data reflected responses to aging and not to any specific diet fed. It is concluded that a diet providing as much as 33% of the calories as a fat, the latter containing up to 28.5% polyunsaturated fatty acids, substantially of the essential fatty acid type, with a P/S ratio of up to 1.6∶1 and a polyunsaturated fatty acid to alphatocopherol ratio as high as 1780∶1] produces no undesirable effects in the rat. Presented in part at a symposium entitled “Long Term Nutritional Effects of Dietary Fats” at the International Society for Fat Research World Congress, September 30, 1970, Chicago, Illinois.     

Multiscale simulations of carbon nanotube nucleation and growth: electronic structure calculations

Several first-principles surface and bulk electronic structure calculations relating to the nucleation and growth of single-wall carbon nanotubes are described. Density-functional theory in various forms is used throughout. In the surface-related calculations, a 38-atom Ni cluster and several low-index Ni surfaces are investigated using pseudopotentials and plane-wave expansions. The energetic ordering of the sites for C atom adsorption is found to be the same, with the Ni(100) facet favored. The bulk diffusion coefficient of C in Ni as a function of cluster size and temperature is calculated from various molecular dynamics approaches. In another group of bulk-related calculations, Gaussian orbital basis sets are used to study a cluster or "flake" containing 14 C atoms. The flake is a segment of three hexagons from an "unrolled" carbon nanotube, with an armchair termination. The binding energies of C, Ni, Co, Fe, Cu, and Au atoms to it were calculated in an effort to gain insight into the mechanism for the high catalytic activity of Ni, Co, and Fe and the lack of it in Cu and Au. The binding energies of Cu and Au are about 1 eV less than those of the three catalytic elements. Similar methods are used to study the initial stages of nanotube growth within the context of classical nucleation theory. Finally, issues relating to the establishment of a fundamental catalytic mechanism are addressed.