Access the full text.
Sign up today, get DeepDyve free for 14 days.
D. Perez, B. Uberuaga, A. Voter (2015)
The parallel replica dynamics method – Coming of ageComputational Materials Science, 100
L. Girifalco, V. Weizer (1959)
Application of the Morse Potential Function to Cubic MetalsPhysical Review, 114
Minki Hong, J. Wohlwend, R. Behera, S. Phillpot, S. Sinnott, B. Uberuaga (2013)
Surface diffusion on SrTiO3 (100): A temperature accelerated dynamics and first principles studySurface Science, 617
P. Morse (1929)
Diatomic Molecules According to the Wave Mechanics. II. Vibrational LevelsPhysical Review, 34
A. Voter (1997)
A method for accelerating the molecular dynamics simulation of infrequent eventsJournal of Chemical Physics, 106
(1985)
Littmark, The Stopping and Range of Ions in Solids (Pergamon
C. Abrams, E. Vanden-Eijnden (2010)
Large-scale conformational sampling of proteins using temperature-accelerated molecular dynamicsProceedings of the National Academy of Sciences, 107
H. Berendsen, J. Postma, W. Gunsteren, A. Dinola, J. Haak (1984)
Molecular dynamics with coupling to an external bathJournal of Chemical Physics, 81
Mads So, Rensen, A. Voter (2000)
Temperature-accelerated dynamics for simulation of infrequent eventsJournal of Chemical Physics, 112
(1191)
Phys
J. Ziegler, J. Biersack, U. Littmark (1985)
stopping and range of ions in solids
D. Hamelberg, John Mongan, J. McCammon (2004)
Accelerated molecular dynamics: a promising and efficient simulation method for biomolecules.The Journal of chemical physics, 120 24
F. Montalenti, A. Voter (2001)
Applying Accelerated Molecular Dynamics to Crystal GrowthPhysica Status Solidi B-basic Solid State Physics, 226
A. Voter (1997)
Hyperdynamics: Accelerated Molecular Dynamics of Infrequent EventsPhysical Review Letters, 78
V. Georgieva, A. Voter, A. Bogaerts (2011)
Understanding the Surface Diffusion Processes during Magnetron Sputter-Deposition of Complex Oxide Mg–Al–O Thin FilmsCrystal Growth & Design, 11
P. Markwick, P. Markwick, J. McCammon, J. McCammon (2011)
Studying functional dynamics in bio-molecules using accelerated molecular dynamics.Physical chemistry chemical physics : PCCP, 13 45
A. Voter (1998)
Parallel replica method for dynamics of infrequent eventsPhysical Review B, 57
Hyperdynamics is the method of accelerated molecular dynamics simulation based on lowering energy barriers while performing the dynamic simulation of a nano/atomic system. A system with reduced energy barriers between different states is obtained by changing the potential of interaction, namely, by constructing the so-called bias potential. An approach allowing a bias potential to be obtained is considered. To demonstrate this method, the hyperdynamics simulation of the diffusion of an atom, adsorbed on a 2D crystal surface, and a vacancy, located in its bulk, is carried out. The results are compared with relevant results obtained by molecular dynamics. It is shown that the hyperdynamics approach makes it possible to obtain statistical results, similar to those provided by molecular dynamics. This allows the accelerated simulation of atomic systems to be conducted with minor losses in the accuracy of results.
Journal of Surface Investigation. X-ray, Synchrotron and Neutron Techniques – Springer Journals
Published: Aug 24, 2017
Read and print from thousands of top scholarly journals.
Already have an account? Log in
Bookmark this article. You can see your Bookmarks on your DeepDyve Library.
To save an article, log in first, or sign up for a DeepDyve account if you don’t already have one.
Copy and paste the desired citation format or use the link below to download a file formatted for EndNote
Access the full text.
Sign up today, get DeepDyve free for 14 days.
All DeepDyve websites use cookies to improve your online experience. They were placed on your computer when you launched this website. You can change your cookie settings through your browser.