Zobrazeno 1 - 10
of 98
pro vyhledávání: '"Valone, Steven M"'
Publikováno v:
Nuclear Instruments and Methods in Physics Research B Vol.268, 2688 (2010)
Direct comparisons between statistically sound simulations of ion-tracks and published experimental measurements of range densities of iodine implants in uranium dioxide have been made with implant energies in the range of 100-800 keV. Our simulation
Externí odkaz:
http://arxiv.org/abs/1004.0490
We present a new interatomic potential for water captured in a charge-transfer embedded atom method (EAM) framework. The potential accounts for explicit, dynamical charge transfer in atoms as a function of the local chemical environment. As an initia
Externí odkaz:
http://arxiv.org/abs/0705.0857
Autor:
Valone, Steven M., Atlas, Susan R.
Publikováno v:
Phys. Rev. Lett. 97, 256402 (2006)
The energies of a pair of strongly-interacting subsystems with arbitrary noninteger charges are examined from closed and open system perspectives. An ensemble representation of the charge dependence is derived, valid at all interaction strengths. Tra
Externí odkaz:
http://arxiv.org/abs/cond-mat/0601009
Autor:
Valone, Steven M., Atlas, Susan R.
The empirical valence bond (EVB) method [J. Chem. Phys. 52, 1262 (1970)] has always embodied charge transfer processes. The mechanism of that behavior is examined here and recast for use as a new empirical potential energy surface for large-scale sim
Externí odkaz:
http://arxiv.org/abs/physics/0311099
Autor:
Valone, Steven M.
Ensemble averages are an approximation technique for connecting macroscopic and microscopic properties of a system. For systems open with respect to exchange of particles with a bath, the microscopic states are those with integer numbers of particles
Externí odkaz:
http://arxiv.org/abs/cond-mat/0006270
Autor:
Valone, Steven M.
Open-system density functional theory may be formulated in terms of ensemble averages arising from interaction with a bath. The system is allowed to exchange particles with the bath and the states in the ensemble average are those corresponding to in
Externí odkaz:
http://arxiv.org/abs/cond-mat/9905414
The temperature dependence of the rate of the reaction CH_4+H \to CH_3+H_2 is studied using classical collision theory with a temperature-dependent effective potential derived from a path integral analysis. Analytical expressions are obtained for the
Externí odkaz:
http://arxiv.org/abs/physics/9702012
Publikováno v:
In Chemical Physics 20 February 2015 448:26-33
Autor:
Hu, Shenyang, Henager, Charles H., Jr., Heinisch, Howard L., Stan, Marius, Baskes, Michael I., Valone, Steven M.
Publikováno v:
In Journal of Nuclear Materials 2009 392(2):292-300
Publikováno v:
In Journal of Nuclear Materials 2008 375(1):144-150