…shifting molecular structure – as well as science nerds like us the chance to actually hear how different arrangements of molecules and chemical bonds can behave………. Read more here: https://www.sciencealert.com/va-scientist-is-turning-every-element-in-the-periodic-table-into-music…
…optimizing charge-discharge profiles of the graphite-based thermal storage system, and designing a new, efficient combustor for TPV heat generation. He conducts both atomistic-level DFT simulations and macro-scale CFD modeling to…
…hidden patterns in their data that might otherwise be too small, or occur over such short time scales that they’re easily missed by the human eye….. Read more here: https://gizmodo.com/this-scientist-is-turning-every-element-in-the-periodic-1759423993…
…Subith Vasu, focusing on biofuel characterization. This work included magnetic mixing tank actuation and design and procurement/fabrication of an extreme condition spherical vessel for combustion experiments. He has also been…
…tin at temperatures of around 1,473–1,673 kelvin. Our approach to liquid-metal pumping is enabled by the use of ceramics for the mechanical and sealing components, but owing to the brittle…
Current understanding of phonons treats them as plane waves/quasi-particles of atomic vibration that propagate and scatter. The problem is that conceptually, when any level of disorder is introduced, whether compositional…
Molecular dynamics simulations have been extensively used to study phonons and gain insight, but direct comparisons to experimental data are often difficult, due to a lack of accurate empirical interatomic…
…and wavelengths are dominant heat carriers. Here we have used a combination of equilibrium molecular dynamics simulations and lattice dynamics calculations to fully detail the spectral dependence of phonon transport…
Most atomistic simulation studies of polyethylene employ a united-atom representation to reduce complexity and computational costs. The ramifications of such an approximation have been discussed with respect to structural properties…