99 citations · 219 across the 8 of their papers we have counts for
8 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…
A non-linear damage accumulation fatigue model for predicting strain life at variable amplitude loadings based on constant amplitude fatigue data
S. P. Beckman, P. J. Huffman
A new phenomenological technique for using constant amplitude loading data to predict fatigue life from a variable amplitude strain history is presented. A critical feature of this…
Non-Arrhenius ionic conductivities in glasses due to a distribution of activation energies
C Bischoff, K Schuller, S P Beckman +1
Previously observed non-Arrhenius behavior in fast ion conducting glasses [\textit{Phys.\ Rev.\ Lett.}\ \textbf{76}, 70 (1996)] occurs at temperatures near the glass transition tem…
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…
The structure, energy, and electronic states of vacancies in Ge nanocrystals
Kenneth Bayus, O. Paz, S. P. Beckman
The atomic structure, energy of formation, and electronic states of vacancies in H-passivated Ge nanocrystals are studied by density functional theory (DFT) methods. The competitio…