Zobrazeno 1 - 10
of 177
pro vyhledávání: '"Duff, A. I."'
Publikováno v:
Phys. Rev. B 100, 024303 (2019)
We propose an approach to calculate the anharmonic part of the volumetric-strain and temperature dependent free energy of a crystal. The method strikes an effective balance between accuracy and computational efficiency, showing a $\times10$ speed-up
Externí odkaz:
http://arxiv.org/abs/1904.02494
Publikováno v:
In Journal of Anthropological Archaeology June 2023 70
Publikováno v:
Phys. Rev. B 99, 094310 (2019)
We have simulated the ultra-high-temperature ceramic zirconium carbide (ZrC) in order to predict electron and phonon scattering properties, including lifetimes and transport. Our predictions of heat and charge conductivity, which extend to 3000 K, ar
Externí odkaz:
http://arxiv.org/abs/1811.11892
Publikováno v:
Phys. Rev. B 98, 174116 (2018)
With density functional theory we have performed molecular dynamics simulations of ZrC which displayed spontaneous Frenkel pair formation at a temperature of 3200 K, some 500 K below the melting point. To understand this behaviour, rarely seen in equ
Externí odkaz:
http://arxiv.org/abs/1809.03281
Publikováno v:
In Journal of Archaeological Science: Reports June 2021 37
Autor:
Duff, Andrew I., Annett, James F.
A Hydrogen atom immersed in a finite jellium sphere is solved using variational quantum Monte Carlo (VQMC). The same system is also solved using density functional theory (DFT), in both the local spin density (LSDA) and self-interaction correction (S
Externí odkaz:
http://arxiv.org/abs/0705.2702
Autor:
Duff, Andrew I., Zena, Ashenafi, Melesse, Addisalem, Wolff, John A., Neill, Owen K., Shackley, M. Steven
Publikováno v:
In Journal of Archaeological Science: Reports June 2018 19:856-863
Publikováno v:
In NDT and E International January 2018 93:64-77
Publikováno v:
Environmental Health Perspectives, 2005 Apr 01. 113(4), 447-453.
Externí odkaz:
https://www.jstor.org/stable/3436159
Autor:
Zena, Ashenafi G.1,2 (AUTHOR) ashuyegirma@yahoo.com, Duff, Andrew I.3 (AUTHOR) duff@wsu.edu, Melesse, Addisalem2,3 (AUTHOR) addisalem.sugamo@wsu.edu, Wolff, John A.4 (AUTHOR) jawolff@wsu.edu, Beldados, Alemseged5 (AUTHOR) alemseged.beldados@aau.edu.et, Shackley, M. Steven6 (AUTHOR) shackley@berkeley.edu
Publikováno v:
Journal of African Archaeology. 2022, Vol. 20 Issue 1, p57-82. 26p.