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cond-mat.mtrl-sci2025
Photo-induced electronic excitations drive polymerization of carbon monoxide: A first-principles study
Rasool Ahmad, Jonathan C. Crowhurst, Stanimir A. Bonev
Under pressure, carbon monoxide (CO) transforms into a polymer that can be recovered to ambient conditions. While this transformation can occur without additional stimuli, experime…
cond-mat.mtrl-sci2023
Accelerating force calculation for dislocation dynamics simulations
Rasool Ahmad, Wei Cai
Discrete dislocation dynamics (DDD) simulations offer valuable insights into the plastic deformation and work-hardening behavior of metals by explicitly modeling the evolution of d…