2 papers
cond-mat.mtrl-sci2025
The effect of multi-occupancy traps on the diffusion and retention of multiple hydrogen isotopes in irradiated tungsten and vanadium
Sanjeet Kaur, Daniel R. Mason, Prashanth Srinivasan +5
We propose a computational scheme for the diffusion and retention of multiple hydrogen isotopes (HI) with multi-occupancy traps parameterized by first principles calculations. We s…
cond-mat.str-el2000
Effect of Quantised Lattice Fluctuations on the Electronic States of Polyenes
W. Barford, R. J. Bursill, M. Yu Lavrentiev
We solve a model of interacting electrons coupled to longitudinal phonons using the density matrix renormalisation group method. The model is parametrised for polyenes. We calculat…