38 citations · 52 across the 3 of their papers we have counts for
3 papers
Elastocaloric response of PbTiO3 predicted from a first-principles effective Hamiltonian
Jordan A. Barr, Scott P. Beckman, Takeshi Nishimatsu
A first-principles based effective Hamiltonian is used within a molecular dynamics simulation to study the elastocaloric effect in PbTiO3. It is found that the transition temperatu…
Direct molecular dynamics simulation of electrocaloric effect in BaTiO3
Takeshi Nishimatsu, Jordan A. Barr, Scott P. Beckman
The electrocaloric effect (ECE) in BaTiO3 is simulated using two different first-principles based effective Hamiltonian molecular dynamics methods. The calculations are performed f…
Effective Hamiltonian Methods for Predicting the Electrocaloric Behavior of BaTiO3
S. P. Beckman, L. F. Wan, Jordan A. Barr +1
The perovskite crystal BaTiO3 is modeled using a first-principles based effective Hamiltonian and molecular dynamics simulations are performed to estimate the pyroelectric response…