Physics Commons^™

Computational Studies Of Carbon Nanocluster Solidification, Chathuri C. Silva

Dissertations

A subset of micron-size meteoritic carbon particles formed in red giant atmospheres show a core-rim structure, likely condensed from a vapor phase into super-cooled carbon droplets that nucleated graphene sheets (~40Å) on randomly oriented 5-atom loops during solidification, followed by coating with a graphite rim. Similar particles form during slow cooling of carbon vapor in the lab.

Here we investigate the nucleation and growth of carbon rings and graphene sheets using density functional theory (DFT). Our objectives: (1). explore different computational techniques in DFT-VASP for various carbon structures and compare the results with literature, (2). investigate the nucleation and growth …

Thermal Roots Of Correlation-Based Complexity, Philip Fraundorf

Physics Faculty Works

Bayesian maxent lets one integrate thermal physics and information theory points of view in the quantitative study of complex systems. Since net surprisal (a free energy analog for measuring “departures from expected”) allows one to place second law constraints on mutual information (a multimoment measure of correlations), it makes a quantitative case for the role of reversible thermalization in the natural history of invention, and suggests multiscale strategies to monitor standing crop as well. It prompts one to track evolved complexity starting from live astrophysically observed processes, rather than only from evidence of past events. Various gradients and boundaries that …