Calculation of the Hardness Space Distribution in the As Quenched Condition of a Medium Hardening Tool Steel

The calculation of the hardness profile is a powerful tool for the selection of the right steel for a given purpose. Computer programs INC-PHATRAN and INDUCTER-B were formerly developed by the authors for the calculation of hardness profiles after heat treatment processes of low alloy and carbon steels. The first one simulates quenching as well as through hardening operations, and the second one models electromagnetic induction heat treatments processes. These codes make use of the SAE Standard 3406 in order to obtain the hardness profile, with enhanced regression coefficients recently obtained by the authors. The present work broadens the field of application of this method, allowing to apply it for low hardenability tool steels such as the ASTM O1 Tool Steel. The method used for the calculation of the hardness profile is here summarized, and an example of application is described, which shows good correspondence between the calculated and measured values.

Comparative Studies on Two 1,8-Naphthalimide Derivatives with Experimental and Theoretical Methods

Two 1,8-naphthalimide derivatives of 7H-benzimidazo[2,1,-a]benz[de] isoquino- lin-7-one（1） and 4-bromo-7H-benzimidazo[2,1,-a]benz[de]isoquinolin-7-one（2） have been synthesized and characterized by elemental analysis, IR, 1H NMR, UV-Vis and fluorescence spectra. For the two compounds, density functional theory（DFT） calculations of the structures and natural population atomic charge analysis have been performed at the B3LYP/6-311G＊＊ level of theory. Based on Onsager reaction filed model and by using TD-DFT method at the B3LYP/6-311G＊＊ level, electron spectra of 1 and 2 with solvent effect in CHCl3 solvent have been predicted, which are in agreement with the experimental ones. Comparative studies on 1 and 2 indicate that introducing an electron-withdrawing group of Br into the 4-position of naphthalene ring in 2 does not significantly make the molecular geometry of 2 different from that of 1, but evidently changes the atomic charge redistribution, moves the positive-negative charges center and then changes the dipole moment in 2. Additionally, for compound 2, the existence of Br atom has also influenced the peak intensity and peak locations in both electron and fluorescence spectra.

CHARACTERISTIC DISTRIBUTION OF SLOPE SCATTERED RADIATION WITH ITS CALCULATION MODEL

Detailed analysis is made of anisotropy of slope scattered radiation(SSR)in terms of the data obtained by a pyranometer mounted on a theodolite,indicating the change of SSR as a function of orientation and slope. And also reviewed are the models for SSR calculation developed by earlier researchers through the tests with the data.On this basis a new model for SSR flux density is proposed which is of higher applicability and has advantage over the analogues abroad both in physical implication and accuracy of the calculations.