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首页> 美国政府科技报告 >Experimental Charge Densities and Electrostatic Potentials in Energetic Materials and Infrastructure Upgrade for an X-ray Crystallography Laboratory
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Experimental Charge Densities and Electrostatic Potentials in Energetic Materials and Infrastructure Upgrade for an X-ray Crystallography Laboratory

机译：用于X射线晶体学实验室的高能材料和基础设施升级中的实验电荷密度和静电势

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To install a state-of-the-art X-ray crystallography laboratory with a new diffractometer using CCD area detector technology and develop data collection and data reduction protocols for charge density studies. To compare charge density results from a CCD detector to those obtained by conventional diffractometers. To fully evaluate the suitability of CCD detectors for the experimental study of electron density distributions and the derived electrostatic potentials. To develop, optimize and calibrate a new helium cooling system for X-ray diffraction for ultra low temperature measurements. To experimentally map the electron density distribution and derived electrostatic potentials in series of related solid energetic materials of differing shock sensitivities from high angle, low temperature X-ray diffraction data. To develop methods of graphical representation of charge densities and electrostatic potentials. To measure the anisotropy of thermal expansion parameters for energetic materials. To relate the thermal expansion to molecular thermal motion. To develop the necessary protocols for compressibilities studies on a CCD diffractometer. To measure the compressibility of energetic materials. To investigate possible cations compatible with the dinitramide anion to form high density salts. To provide crystal structures of energetic materials to others in the field.

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