and_ped10's library 148 articles Export

	Order and structural units in simulations of twist grain boundaries in silicon at absolute zero [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 74, No. 13. (2006) by S. von Alfthan, K. Kaski, A. P. Sutton posted to no-tag by and_ped10 on 2008-09-11 15:22:11 as
	Theoretical study of kinks on screw dislocation in silicon [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 77, No. 6. (2008) by L. Pizzagalli, A. Pedersen, A. Arnaldsson, H. Jónsson, P. Beauchamp posted to no-tag by and_ped10 on 2008-02-21 13:51:18 as
	Direct Transformation of Vacancy Voids to Stacking Fault Tetrahedra [My Copy] Physical Review Letters, Vol. 99, No. 13. (2007) by B. P. Uberuaga, R. G. Hoagland, A. F. Voter, S. M. Valone posted to no-tag by and_ped10 on 2008-01-16 13:54:37 as
	An exact formulation of hyperdynamics simulations [My Copy] The Journal of Chemical Physics, Vol. 126, No. 22. (2007) by L. Y. Chen, N. J. M. Horing posted to hyperdynamics by and_ped10 on 2008-01-16 13:39:30 as
	Pathfinder: A parallel search algorithm for concerted atomistic events [My Copy] Computer Physics Communications, Vol. 176, No. 4. (15 February 2007), pp. 292-299. by Aiichiro Nakano posted to no-tag by and_ped10 on 2007-12-09 16:58:15 as along with 1 person fbr
	Temperature-accelerated dynamics for simulation of infrequent events [My Copy] The Journal of Chemical Physics, Vol. 112, No. 21. (2000), pp. 9599-9606. by Mads R. So rensen, Arthur F. Voter posted to no-tag by and_ped10 on 2007-12-03 15:26:14 as along with 1 person amhr
	Parallel replica method for dynamics of infrequent events [My Copy] Physical Review B, Vol. 57, No. 22. (1 Jun 1998), pp. R13985-R13988. by Arthur F. Voter posted to no-tag by and_ped10 on 2007-12-03 15:17:45 as along with 1 person amhr
	Plastic deformation of Si at low temperature under high confining pressure [My Copy] Materials Science and Engineering A, Vol. 309-310 (15 July 2001), pp. 74-77. by J. Rabier, P. Cordier, J. L. Demenet, H. Garem posted to no-tag by and_ped10 on 2007-11-23 11:08:11 as
	Undissociated screw dislocation in Si: Glide or shuffle set? [My Copy] Applied Physics Letters, Vol. 89, No. 5. (2006) by Cai Z. Wang, Ju Li, Kai M. Ho, Sidney Yip posted to no-tag by and_ped10 on 2007-11-23 08:53:31 as
	Undissociated screw dislocations in silicon: calculations of core structure and energy [My Copy] pp. 1191-1204. by L. Pizzagalli posted to no-tag by and_ped10 on 2007-11-23 08:50:40 as
	Canonical dynamics: Equilibrium phase-space distributions [My Copy] Physical Review A, Vol. 31, No. 3. (March 1985), 1695. by William G. Hoover posted to no-tag by and_ped10 on 2007-11-08 20:25:23 as along with 3 people r2s2 stephenbond OndrejMarsalek
	The Monte Carlo Method [My Copy] Journal of the American Statistical Association, Vol. 44, No. 247. (1949), pp. 335-341. by Nicholas Metropolis, S. Ulam posted to no-tag by and_ped10 on 2007-11-08 20:07:21 as along with 5 people hoftt jjray hgfernan truonghuy pcarbo
	Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules [My Copy] Physical Review Online Archive (Prola), Vol. 159, No. 1. (5 Jul 1967), 98. by Loup Verlet posted to verlet by and_ped10 on 2007-11-06 07:38:30 as along with 6 people dsmueller georgwachter stephenbond theschwartz OndrejMarsalek maburkitt
	Molecular dynamics simulation of the recrystallization of amorphous Si layers: Comprehensive study of the dependence of the recrystallization velocity on the interatomic potential [My Copy] Journal of Applied Physics, Vol. 101, No. 12. (2007) by C. Krzeminski, Q. Brulin, V. Cuny, E. Lecat, E. Lampin, F. Cleri posted to no-tag by and_ped10 on 2007-11-03 13:32:14 as
	Deformation of nanocrystalline materials by molecular-dynamics simulation: relationship to experiments? [My Copy] Acta Materialia, Vol. 53, No. 1. (03 January 2005), pp. 1-40. by D. Wolf, V. Yamakov, S. Phillpot, A. Mukherjee, H. Gleiter posted to no-tag by and_ped10 on 2007-10-26 10:41:58 as along with 1 person AStap123
	Grain boundaries of nanocrystalline materials – their widths, compositions, and internal structures [My Copy] Hyperfine Interactions, Vol. 130, No. 1. (24 January 2000), pp. 81-108. by B. Fultz, H. N. Frase posted to no-tag by and_ped10 on 2007-10-26 10:37:41 as
	Interatomic potential for silicon clusters, crystals, and surfaces [My Copy] Physical Review B, Vol. 41, No. 15. (15 May 1990), 10568. by Barry C. Bolding, Hans C. Andersen posted to anderson bolding silicon by and_ped10 on 2007-10-23 15:56:13 as
	Highly optimized empirical potential model of silicon [My Copy] Modelling Simul.~Mater.~Sci.~Eng., Vol. 8 (November 2000), pp. 825-841. by T. J. Lenosky, B. Sadigh, E. Alonso, et al.V. V. Bulatov, Diaz, J. Kim, A. F. Voter, J. D. Kress posted to no-tag by and_ped10 on 2007-10-15 14:00:24 as
	ReaxFF<sub>SiO</sub> Reactive Force Field for Silicon and Silicon Oxide Systems [My Copy] J. Phys. Chem. A, Vol. 107, No. 19. (15 May 2003), pp. 3803-3811. by A. C. T. van Duin, A. Strachan, S. Stewman, Q. Zhang, X. Xu, W. A. Goddard posted to no-tag by and_ped10 on 2007-09-30 14:01:47 as along with 1 person tovrstra
	ReaxFF: A Reactive Force Field for Hydrocarbons [My Copy] The Journal of Physical Chemistry A, Vol. 105, No. 41. (1 October 2001), pp. 9396-9409. by Adri C. T. van Duin, Siddharth Dasgupta, Francois Lorant, William A. Goddard posted to no-tag by and_ped10 on 2007-09-30 13:54:16 as along with 2 people r2s2 tovrstra
	Computer simulation of local order in condensed phases of silicon [My Copy] Physical Review B, Vol. 31, No. 8. (15 April 1985), 5262. by Frank H. Stillinger, Thomas A. Weber posted to no-tag by and_ped10 on 2007-09-27 15:29:46 as along with 1 person ptupper
	Cohesion [My Copy] Proceedings of the Physical Society, Vol. 43, No. 5. (1931), pp. 461-482. by J. E. Lennard-Jones posted to no-tag by and_ped10 on 2007-09-25 17:25:12 as along with 4 people stephenbond hearoplane ucbcjbm mkurc
	Self-Consistent Equations Including Exchange and Correlation Effects [My Copy] Physical Review Online Archive (Prola), Vol. 140, No. 4A. (Nov 1965), pp. A1133-A1138. by W. Kohn, L. J. Sham posted to dft by and_ped10 on 2007-09-25 15:17:35 as along with 6 people eraserxp beloviedo giron rdf A_Coletta_Thesis eyliu
	Inhomogeneous Electron Gas [My Copy] Physical Review Online Archive (Prola), Vol. 136, No. 3B. (Nov 1964), pp. B864-B871. by P. Hohenberg, W. Kohn posted to dft by and_ped10 on 2007-09-25 15:16:52 as along with 5 people eraserxp giron Lombardo_7 jsm DanHickstein
	An Undulatory Theory of the Mechanics of Atoms and Molecules [My Copy] Physical Review Online Archive (Prola), Vol. 28, No. 6. (Dec 1926), pp. 1049-1070. by E. Schrödinger posted to no-tag by and_ped10 on 2007-09-18 22:29:12 as along with 1 person nogi
	Stick-slip behavior of grain boundaries studied by accelerated molecular dynamics [My Copy] Phys. Rev. B, Vol. 75, No. 22. (June 2007), 224101. by Y. Mishin, A. Suzuki, B. P. Uberuaga, A. F. Voter posted to no-tag by and_ped10 on 2007-09-13 18:24:06 as
	Structure of grain boundaries in nanocrystalline palladium by molecular dynamics simulation [My Copy] Scripta Materialia, Vol. 41, No. 6. (20 August 1999), pp. 631-636. by P. Keblinski, D. Wolf, Phillpot posted to eam grain-boundary md pd by and_ped10 on 2007-08-16 15:52:13 as
	Hydrogen as a Probe for the Average Thickness of a Grain Boundary [My Copy] Scripta Metallurgica, Vol. 21 (August 1987), pp. 1101-1104. by T. Mutschele, R. Kircheim posted to boundaries grain h microstructure pd thickness by and_ped10 on 2007-07-31 15:36:23 as along with 11 people krainfo torrrie agcs knussear drryork Tolik charlesa elsiatcase bradw gwenknight jasoneprior
	Linear Grain Growth Kinetics and Rotation in Nanocrystalline Ni [My Copy] Physical Review Letters, Vol. 98, No. 16. (April 2007), 165502. by D. Farkas, S. Mohanty, J. Monk posted to no-tag by and_ped10 on 2007-07-27 12:22:36 as
	Annealing twins in nanocrystalline fcc metals: A molecular dynamics simulation [My Copy] Phys. Rev. B, Vol. 75, No. 18. (May 2007), 184111. by D. Farkas, E. Bringa, A. Caro posted to no-tag by and_ped10 on 2007-07-27 11:35:16 as
	Multiple-Time Scale Accelerated Molecular Dynamics: Addressing the Small-Barrier Problem [My Copy] Physical Review Letters, Vol. 93, No. 12. (September 2004), 128301. by R. A. Miron, K. A. Fichthorn posted to no-tag by and_ped10 on 2007-06-27 13:59:36 as
	Accelerated molecular dynamics with the bond-boost method [My Copy] J. Chem. Phys., Vol. 119 (September 2003), pp. 6210-6216. by R. A. Miron, K. A. Fichthorn posted to no-tag by and_ped10 on 2007-06-27 11:15:55 as
	Thermal expansion and hydrogen diffusion in nanocrystalline nickel [My Copy] Phys. Rev. B, Vol. 60 (October 1999), pp. 10107-10113. by B. Szpunar, L. J. Lewis, I. Swainson, U. Erb posted to no-tag by and_ped10 on 2007-06-01 15:21:18 as
	Hydrogen diffusion in nanocrystalline nickel indicating a structural change within the grain boundaries after annealing [My Copy] pp. 1171-1175. by C. Marte posted to annealing boundary grain h ni by and_ped10 on 2007-05-31 16:55:01 as
	Improved grid-based algorithm for Bader charge allocation. [My Copy] J Comput Chem, Vol. 28, No. 5. (15 April 2007), pp. 899-908. by E. Sanville, S. D. Kenny, R. Smith, G. Henkelman posted to bader charge by and_ped10 on 2007-05-23 16:55:50 as along with 1 person apulido
	Atomistic modeling of segregation and bulk ordering in Ag\ndashAu alloys [My Copy] Surface Science, Vol. 601 (May 2007), pp. 2038-2046. by G. Bozzolo, J. E. Garcés, G. N. Derry posted to no-tag by and_ped10 on 2007-05-14 17:28:51 as
	First-principles studies on initial growth of Ni on MgO(001) surface [My Copy] Surface Science, Vol. 600 (May 2006), pp. 2154-2162. by Y. F. Dong, S. J. Wang, Y. Y. Mi, Y. P. Feng, A. C. H. Huan posted to no-tag by and_ped10 on 2007-04-23 16:05:04 as
	Iterative minimization techniques for ab initio total-energy calculations: molecular dynamics and conjugate gradients [My Copy] Reviews of Modern Physics, Vol. 64, No. 4. (October 1992), 1045. by M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias, J. D. Joannopoulos posted to no-tag by and_ped10 on 2007-04-05 18:53:56 as
	Parallel replica dynamics for driven systems: Derivation and application to strained nanotubes [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 75, No. 1. (2007) by Blas P. Uberuaga, Steven J. Stuart, Arthur F. Voter posted to no-tag by and_ped10 on 2007-04-03 15:45:22 as
	Monte Carlo studies of vacancy migration in binary ordered alloys: I [My Copy] Proceedings of the Physical Society, Vol. 89, No. 3. (1966), pp. 735-746. by W. M. Young, E. W. Elcock posted to carlo kmc monte by and_ped10 on 2007-03-12 14:22:52 as
	Elastic Constants of Magnesium-Lithium Alloys [My Copy] Physical Review, Vol. 155 (March 1967), pp. 586-594. by A. R. Wazzan, L. B. Robinson posted to no-tag by and_ped10 on 2007-02-26 10:12:31 as
	Stability and clusterization of hydrogen-vacancy complexes in $α$-Fe: An ab initio study [My Copy] Phys. Rev. B, Vol. 67, No. 17. (May 2003), 174105. by Y. Tateyama, T. Ohno posted to no-tag by and_ped10 on 2007-02-20 09:23:32 as
	Interaction of vacancies with a grain boundary in aluminum: A first-principles study [My Copy] Phys. Rev. B, Vol. 64, No. 2. (July 2001), 024101. by G. Lu, N. Kioussis posted to no-tag by and_ped10 on 2007-02-20 09:23:30 as
	Vacancy formation energy near an edge dislocation: A hybrid quantum-classical study [My Copy] Materials Science and Engineering A In Dislocations 2004, Vol. 400-401 (25 July 2005), pp. 72-75. by F. Tavazza, R. Wagner, A. M. Chaka, L. E. Levine posted to no-tag by and_ped10 on 2007-02-20 09:20:12 as
	ReaxFF<sub>MgH</sub> Reactive Force Field for Magnesium Hydride Systems [My Copy] J. Phys. Chem. A, Vol. 109, No. 5. (10 February 2005), pp. 851-859. by S. Cheung, W. Q. Deng, A. C. T. Vanduin, W. A. Goddard posted to reaxff mg h by and_ped10 on 2007-02-10 19:34:42 as
	A fast and robust algorithm for Bader decomposition of charge density [My Copy] Computational Materials Science, Vol. 36, No. 3. (June 2006), pp. 354-360. by Graeme Henkelman, Andri Arnaldsson, Hannes Jonsson posted to no-tag by and_ped10 on 2007-02-10 18:25:23 as along with 1 person apulido
	Hydrogen in aluminum: First-principles calculations of structure and thermodynamics [My Copy] Phys. Rev. B, Vol. 69, No. 14. (April 2004), 144109. by C. Wolverton, Ozoli\c, M. Asta posted to no-tag by and_ped10 on 2007-02-06 14:55:01 as
	Transition-Metal-Ethylene Complexes as High-Capacity Hydrogen-Storage Media [My Copy] Physical Review Letters, Vol. 97, No. 22. (December 2006), 226102. by E. Durgun, S. Ciraci, W. Zhou, T. Yildirim posted to no-tag by and_ped10 on 2007-01-23 12:53:30 as
	Adsorption of hydrogen on clean and modified magnesium films [My Copy] Physical Review B (Condensed Matter and Materials Physics), Vol. 74, No. 19. (2006) by Martin Johansson, Christopher W. Ostenfeld, Ib Chorkendorff posted to no-tag by and_ped10 on 2007-01-18 10:02:35 as
	Modeling solid-state chemistry: Interatomic potentials for multicomponent systems [My Copy] Phys. Rev. B, Vol. 39 (March 1989), pp. 5566-5568. by J. Tersoff posted to no-tag by and_ped10 on 2006-12-20 15:09:44 as along with 1 person freddan

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