Experimental and Computational Chemical Physics Applied to CBRN Objectives

Experimental and theoretical methods of chemical physics are applied to SiC excitonics, positron spectrometry, and nuclear fuels spectrometry.

We create and employ quantum mechanics, especially density functional theory (DFT) and equation of motion coupled cluster (EOM-CC) and molecular dynamics (MD) methods, to model novel materials that are important to performance of future DOD information technology systems. We model positronic molecules and positrons in solid defects to predict positron spectrometry. We model optical and electrical properties of novel SiC nanomaterials for device applications in photonics and excitonics. We model uranium oxides and thorium oxides to interpret solid state and surface spectrometry of nuclear materials.

In our experimental effort we apply various positron spectrometry techniques to characterize uranium and thorium oxide single crystals. The positron spectrometry techniques that we employ are positron annihilation lifetime spectrometery (PALS), positron 2-gamma/3-gamma annihilation ratio spectrometry (PsARS), and simultaneous angular correlation of annihilation radiation (ACAR) and Doppler broadening of annihilation radiation (DBAR). Using the latter two techniques in combination with a slow positron beam permits surface characterization in addition to bulk solid-state characterization of single-crystal nuclear materials.

Research Advisor

Prospective applicants are encouraged to contact the opportunity’s Research Advisor, listed below, to discuss the applicant’s approach for responding to this research opportunity and to discuss their potential collaboration on the research opportunity.

Dr. Larry W. Burggraf, larry.burggraf@afit.edu, (937) 255-3636 Ext.4507