Nucleation mechanism for the direct graphite-to-diamond phase transition.
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Michele Parrinello | Jörg Behler | Rustam Z Khaliullin | J. Behler | M. Parrinello | R. Z. Khaliullin | T. Kühne | H. Eshet | Thomas D Kühne | Hagai Eshet
[1] Rustam Z. Khaliullin,et al. Graphite-diamond phase coexistence study employing a neural-network mapping of the ab initio potential energy surface , 2010 .
[2] Thomas D. Kuhne,et al. Ab initio quality neural-network potential for sodium , 2010, 1002.2879.
[3] R. Kondor,et al. Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons. , 2009, Physical review letters.
[4] H. Ohfuji,et al. Origin of unique microstructures in nano-polycrystalline diamond synthesized by direct conversion of graphite at static high pressure , 2009 .
[5] F. Zerilli,et al. Surface energy and the size of diamond crystals , 2008 .
[6] E. Reed,et al. Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression. , 2008, The Journal of chemical physics.
[7] M. Heggie,et al. Dislocations of Burgers vector c/2 in graphite , 2007 .
[8] Michele Parrinello,et al. Generalized neural-network representation of high-dimensional potential-energy surfaces. , 2007, Physical review letters.
[9] J. Rouzaud,et al. Nanodiamond nucleation below 2273 K at 15 GPa from carbons with different structural organizations , 2007 .
[10] H. Sumiya,et al. Conditions and mechanism of formation of nano-polycrystalline diamonds on direct transformation from graphite and non-graphitic carbon at high pressure and temperature , 2006 .
[11] Ivano Tavernelli,et al. Optimization of effective atom centered potentials for london dispersion forces in density functional theory. , 2004, Physical review letters.
[12] R. Martoňák,et al. Constant pressure reactive molecular dynamics simulations of phase transitions under pressure: The graphite to diamond conversion revisited , 2004 .
[13] I. A. Petrusha,et al. Diffusionless Nucleation of Lonsdaleite and Diamond in Hexagonal Graphite under Static Compression , 2004 .
[14] H. Sumiya,et al. Materials: Ultrahard polycrystalline diamond from graphite , 2003, Nature.
[15] B. Moran,et al. A model for nonclassical nucleation of solid-solid structural phase transformations , 2000 .
[16] Tateyama,et al. Constant-pressure first-principles studies on the transition states of the graphite-diamond transformation. , 1996, Physical review. B, Condensed matter.
[17] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[18] H. Mao,et al. The pressure-temperature phase and transformation diagram for carbon; updated through 1994 , 1996 .
[19] E. Tosatti,et al. Pressure-Induced Transformation Path of Graphite to Diamond. , 1995, Physical review letters.
[20] Utsumi,et al. High-pressure in situ x-ray-diffraction study of the phase transformation from graphite to hexagonal diamond at room temperature. , 1992, Physical review. B, Condensed matter.
[21] W. Nellis,et al. Shock-induced martensitic transformation of highly oriented graphite to diamond , 1992 .
[22] W. Nellis,et al. Shock-induced martensitic phase transformation of oriented graphite to diamond , 1991, Nature.
[23] Cohen,et al. Theoretical total-energy study of the transformation of graphite into hexagonal diamond. , 1987, Physical review. B, Condensed matter.
[24] Cohen,et al. Pseudopotential total-energy study of the transition from rhombohedral graphite to diamond. , 1986, Physical review. B, Condensed matter.
[25] Steven G. Louie,et al. Total energies of diamond (111) surface reconstructions by a linear combination of atomic orbitals method , 1984 .
[26] B. Deryagin,et al. Phase transitions and nucleation in diamond and graphite , 1979 .
[27] R. Bradley. The effect of pressure on the rate of solid reactions, with special reference to diamond synthesis , 1971 .
[28] F. P. Bundy,et al. Hexagonal Diamond—A New Form of Carbon , 1967 .
[29] F. Bundy,et al. Direct Conversion of Graphite to Diamond in Static Pressure Apparatus. , 1962, Science.
[30] F. Bundy,et al. Diamond‐Graphite Equilibrium Line from Growth and Graphitization of Diamond , 1961 .
[31] J. D. Eshelby. The determination of the elastic field of an ellipsoidal inclusion, and related problems , 1957, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.